N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide

C29H30F2N6O2 — CID 11947934

IUPACN-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
SMILESCCCNCCNc1nc(-c2cc(C(=O)NC3CC3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C29H30F2N6O2/c1-3-13-32-14-15-33-29-35-25(21-16-18(8-7-17(21)2)28(39)34-19-9-10-19)20-11-12-24(38)37(27(20)36-29)26-22(30)5-4-6-23(26)31/h4-8,11-12,16,19,32H,3,9-10,13-15H2,1-2H3,(H,34,39)(H,33,35,36)
InChIKeyHERQNPYFYWKYLH-UHFFFAOYSA-N
MW532.60 g/mol
LogP4.34
Rot. Bonds10

About N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide (PubChem CID 11947934) has the molecular formula C29H30F2N6O2 and a molecular weight of 532.60 g/mol. Its IUPAC name is N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
PubChem CID11947934
Molecular FormulaC29H30F2N6O2
Molecular Weight532.60 g/mol
Exact Mass532.24
IUPAC NameN-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide
SMILESCCCNCCNc1nc(-c2cc(C(=O)NC3CC3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1
InChIInChI=1S/C29H30F2N6O2/c1-3-13-32-14-15-33-29-35-25(21-16-18(8-7-17(21)2)28(39)34-19-9-10-19)20-11-12-24(38)37(27(20)36-29)26-22(30)5-4-6-23(26)31/h4-8,11-12,16,19,32H,3,9-10,13-15H2,1-2H3,(H,34,39)(H,33,35,36)
InChIKeyHERQNPYFYWKYLH-UHFFFAOYSA-N
XLogP4.34
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.60
LogP ≤ 54.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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N-{4-Methyl-3-[8-Methyl-7-Oxo-2-(Phenylamino)-7,8-Dihydropyrido[2,3-D]pyrimidin-6-Yl]phenyl}-3-(Trifluoromethyl)benzamide
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CID 71449290
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CID 71452903
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-[4-(trifluoromethyl)phenyl]benzoyl]amino]quinoline-6-carboxamide
CID 71458256
N-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-(4-propylphenyl)benzoyl]amino]quinoline-6-carboxamide
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CID 72200268
CID 11853799
CID 11853799
3-[8-(2,6-difluorophenyl)-7-oxo-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyrido[2,3-d]pyrimidin-4-yl]-N-(4-fluorophenyl)-4-methylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide (CID 11947934) is N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide is CCCNCCNc1nc(-c2cc(C(=O)NC3CC3)ccc2C)c2ccc(=O)n(-c3c(F)cccc3F)c2n1.
What is the InChIKey of N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
The InChIKey is HERQNPYFYWKYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F2N6O2/c1-3-13-32-14-15-33-29-35-25(21-16-18(8-7-17(21)2)28(39)34-19-9-10-19)20-11-12-24(38)37(27(20)36-29)26-22(30)5-4-6-23(26)31/h4-8,11-12,16,19,32H,3,9-10,13-15H2,1-2H3,(H,34,39)(H,33,35,36).
What are the key properties of N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide has a molecular weight of 532.60 g/mol, XLogP of 4.34, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[8-(2,6-difluorophenyl)-7-oxo-2-[2-(propylamino)ethylamino]pyrido[2,3-d]pyrimidin-4-yl]-4-methylbenzamide is sourced from PubChem (CID 11947934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).