8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide

C42H48N10O6 — CID 70347432

IUPAC8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(C(=O)N4CCC(C)CC4)cc3)nc21.CCn1c(=O)ccc2cnc(Nc3ccc(C(O)C(CO)NC(C)=O)cc3)nc21
InChIInChI=1S/C22H25N5O2.C20H23N5O4/c1-3-27-19(28)9-6-17-14-23-22(25-20(17)27)24-18-7-4-16(5-8-18)21(29)26-12-10-15(2)11-13-26;1-3-25-17(28)9-6-14-10-21-20(24-19(14)25)23-15-7-4-13(5-8-15)18(29)16(11-26)22-12(2)27/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24,25);4-10,16,18,26,29H,3,11H2,1-2H3,(H,22,27)(H,21,23,24)
InChIKeyKZFIMVDRSIJMCW-UHFFFAOYSA-N
MW788.91 g/mol
LogP4.51
Rot. Bonds11

About 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide

8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide (PubChem CID 70347432) has the molecular formula C42H48N10O6 and a molecular weight of 788.91 g/mol. Its IUPAC name is 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide.

Molecular Properties

Compound Name8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide
PubChem CID70347432
Molecular FormulaC42H48N10O6
Molecular Weight788.91 g/mol
Exact Mass788.38
IUPAC Name8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide
SMILESCCn1c(=O)ccc2cnc(Nc3ccc(C(=O)N4CCC(C)CC4)cc3)nc21.CCn1c(=O)ccc2cnc(Nc3ccc(C(O)C(CO)NC(C)=O)cc3)nc21
InChIInChI=1S/C22H25N5O2.C20H23N5O4/c1-3-27-19(28)9-6-17-14-23-22(25-20(17)27)24-18-7-4-16(5-8-18)21(29)26-12-10-15(2)11-13-26;1-3-25-17(28)9-6-14-10-21-20(24-19(14)25)23-15-7-4-13(5-8-15)18(29)16(11-26)22-12(2)27/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24,25);4-10,16,18,26,29H,3,11H2,1-2H3,(H,22,27)(H,21,23,24)
InChIKeyKZFIMVDRSIJMCW-UHFFFAOYSA-N
XLogP4.51
TPSA209.49 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.91
LogP ≤ 54.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide?
The IUPAC name of 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide (CID 70347432) is 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide.
What is the SMILES notation for 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide?
The canonical SMILES for 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide is CCn1c(=O)ccc2cnc(Nc3ccc(C(=O)N4CCC(C)CC4)cc3)nc21.CCn1c(=O)ccc2cnc(Nc3ccc(C(O)C(CO)NC(C)=O)cc3)nc21.
What is the InChIKey of 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide?
The InChIKey is KZFIMVDRSIJMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2.C20H23N5O4/c1-3-27-19(28)9-6-17-14-23-22(25-20(17)27)24-18-7-4-16(5-8-18)21(29)26-12-10-15(2)11-13-26;1-3-25-17(28)9-6-14-10-21-20(24-19(14)25)23-15-7-4-13(5-8-15)18(29)16(11-26)22-12(2)27/h4-9,14-15H,3,10-13H2,1-2H3,(H,23,24,25);4-10,16,18,26,29H,3,11H2,1-2H3,(H,22,27)(H,21,23,24).
What are the key properties of 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide?
8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide has a molecular weight of 788.91 g/mol, XLogP of 4.51, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[4-(4-methylpiperidine-1-carbonyl)anilino]pyrido[2,3-d]pyrimidin-7-one;N-[1-[4-[(8-ethyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]phenyl]-1,3-dihydroxypropan-2-yl]acetamide is sourced from PubChem (CID 70347432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).