N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide

C87H85FN20O15 — CID 159386999

IUPACN-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide
SMILESC=CC(=O)N1CCCC(Oc2nc(Nc3cccc(OC)c3)ncc2F)C1.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)nc3)ncc2C(=O)NC2CC2)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2C(=O)NC2CC2)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2C(N)=O)c1
InChIInChI=1S/C24H23N5O4.C23H22N6O4.C21H19N5O4.C19H21FN4O3/c1-3-21(30)26-16-6-5-9-19(13-16)33-23-20(22(31)27-15-10-11-15)14-25-24(29-23)28-17-7-4-8-18(12-17)32-2;1-3-19(30)26-15-5-4-6-17(11-15)33-22-18(21(31)27-14-7-8-14)13-25-23(29-22)28-16-9-10-20(32-2)24-12-16;1-3-18(27)24-13-6-5-9-16(11-13)30-20-17(19(22)28)12-23-21(26-20)25-14-7-4-8-15(10-14)29-2;1-3-17(25)24-9-5-8-15(12-24)27-18-16(20)11-21-19(23-18)22-13-6-4-7-14(10-13)26-2/h3-9,12-15H,1,10-11H2,2H3,(H,26,30)(H,27,31)(H,25,28,29);3-6,9-14H,1,7-8H2,2H3,(H,26,30)(H,27,31)(H,25,28,29);3-12H,1H2,2H3,(H2,22,28)(H,24,27)(H,23,25,26);3-4,6-7,10-11,15H,1,5,8-9,12H2,2H3,(H,21,22,23)
InChIKeyLLPWEGBCPVJYIR-UHFFFAOYSA-N
MW1669.76 g/mol
LogP13.64
Rot. Bonds32

About N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide

N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide (PubChem CID 159386999) has the molecular formula C87H85FN20O15 and a molecular weight of 1669.76 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide
PubChem CID159386999
Molecular FormulaC87H85FN20O15
Molecular Weight1669.76 g/mol
Exact Mass1668.65
IUPAC NameN-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide
SMILESC=CC(=O)N1CCCC(Oc2nc(Nc3cccc(OC)c3)ncc2F)C1.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)nc3)ncc2C(=O)NC2CC2)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2C(=O)NC2CC2)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2C(N)=O)c1
InChIInChI=1S/C24H23N5O4.C23H22N6O4.C21H19N5O4.C19H21FN4O3/c1-3-21(30)26-16-6-5-9-19(13-16)33-23-20(22(31)27-15-10-11-15)14-25-24(29-23)28-17-7-4-8-18(12-17)32-2;1-3-19(30)26-15-5-4-6-17(11-15)33-22-18(21(31)27-14-7-8-14)13-25-23(29-22)28-16-9-10-20(32-2)24-12-16;1-3-18(27)24-13-6-5-9-16(11-13)30-20-17(19(22)28)12-23-21(26-20)25-14-7-4-8-15(10-14)29-2;1-3-17(25)24-9-5-8-15(12-24)27-18-16(20)11-21-19(23-18)22-13-6-4-7-14(10-13)26-2/h3-9,12-15H,1,10-11H2,2H3,(H,26,30)(H,27,31)(H,25,28,29);3-6,9-14H,1,7-8H2,2H3,(H,26,30)(H,27,31)(H,25,28,29);3-12H,1H2,2H3,(H2,22,28)(H,24,27)(H,23,25,26);3-4,6-7,10-11,15H,1,5,8-9,12H2,2H3,(H,21,22,23)
InChIKeyLLPWEGBCPVJYIR-UHFFFAOYSA-N
XLogP13.64
TPSA446.87 Ų
H-Bond Donors10
H-Bond Acceptors28
Rotatable Bonds32
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001669.76
LogP ≤ 513.64
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide?
The IUPAC name of N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide (CID 159386999) is N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide is C=CC(=O)N1CCCC(Oc2nc(Nc3cccc(OC)c3)ncc2F)C1.C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)nc3)ncc2C(=O)NC2CC2)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2C(=O)NC2CC2)c1.C=CC(=O)Nc1cccc(Oc2nc(Nc3cccc(OC)c3)ncc2C(N)=O)c1.
What is the InChIKey of N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide?
The InChIKey is LLPWEGBCPVJYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4.C23H22N6O4.C21H19N5O4.C19H21FN4O3/c1-3-21(30)26-16-6-5-9-19(13-16)33-23-20(22(31)27-15-10-11-15)14-25-24(29-23)28-17-7-4-8-18(12-17)32-2;1-3-19(30)26-15-5-4-6-17(11-15)33-22-18(21(31)27-14-7-8-14)13-25-23(29-22)28-16-9-10-20(32-2)24-12-16;1-3-18(27)24-13-6-5-9-16(11-13)30-20-17(19(22)28)12-23-21(26-20)25-14-7-4-8-15(10-14)29-2;1-3-17(25)24-9-5-8-15(12-24)27-18-16(20)11-21-19(23-18)22-13-6-4-7-14(10-13)26-2/h3-9,12-15H,1,10-11H2,2H3,(H,26,30)(H,27,31)(H,25,28,29);3-6,9-14H,1,7-8H2,2H3,(H,26,30)(H,27,31)(H,25,28,29);3-12H,1H2,2H3,(H2,22,28)(H,24,27)(H,23,25,26);3-4,6-7,10-11,15H,1,5,8-9,12H2,2H3,(H,21,22,23).
What are the key properties of N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide?
N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide has a molecular weight of 1669.76 g/mol, XLogP of 13.64, 32 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;N-cyclopropyl-2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide;1-[3-[5-fluoro-2-(3-methoxyanilino)pyrimidin-4-yl]oxypiperidin-1-yl]prop-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)phenoxy]pyrimidine-5-carboxamide is sourced from PubChem (CID 159386999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).