N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide

C27H35N5O2 — CID 150812735

IUPACN-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESC[C@H](Nc1ncc2ccc(=O)n(CC(C)(C)C)c2n1)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H35N5O2/c1-18(19-10-12-20(13-11-19)25(34)30-22-8-6-5-7-9-22)29-26-28-16-21-14-15-23(33)32(24(21)31-26)17-27(2,3)4/h10-16,18,22H,5-9,17H2,1-4H3,(H,30,34)(H,28,29,31)/t18-/m0/s1
InChIKeyKIFQDUJJEIXDIG-SFHVURJKSA-N
MW461.61 g/mol
LogP5.07
Rot. Bonds6

About N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide

N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide (PubChem CID 150812735) has the molecular formula C27H35N5O2 and a molecular weight of 461.61 g/mol. Its IUPAC name is N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide
PubChem CID150812735
Molecular FormulaC27H35N5O2
Molecular Weight461.61 g/mol
Exact Mass461.28
IUPAC NameN-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide
SMILESC[C@H](Nc1ncc2ccc(=O)n(CC(C)(C)C)c2n1)c1ccc(C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C27H35N5O2/c1-18(19-10-12-20(13-11-19)25(34)30-22-8-6-5-7-9-22)29-26-28-16-21-14-15-23(33)32(24(21)31-26)17-27(2,3)4/h10-16,18,22H,5-9,17H2,1-4H3,(H,30,34)(H,28,29,31)/t18-/m0/s1
InChIKeyKIFQDUJJEIXDIG-SFHVURJKSA-N
XLogP5.07
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.61
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(1S)-1-[4-[[4-[(E)-but-2-enoyl]piperazin-1-yl]methyl]phenyl]ethyl]amino]-8-(2,2-dimethylpropyl)pyrido[2,3-d]pyrimidin-7-one
CID 150961435
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-(cyclopropylmethyl)pyrido[2,3-d]pyrimidin-7-one
CID 150995646
methyl 4-[(1S)-1-[(8-benzyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]ethyl]benzoate
CID 150217004
N-cycloheptyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109304746
2-fluoro-4-[(1S)-1-[(7-oxo-8-propan-2-ylpyrido[2,3-d]pyrimidin-2-yl)amino]ethyl]-N-(1-prop-1-enylpiperidin-4-yl)benzamide
CID 175513354
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-8-[(3,4-difluorophenyl)methyl]pyrido[2,3-d]pyrimidin-7-one
CID 151367866
2-(cyclohexylamino)-8-(3-hydroxypropyl)pyrido[2,3-d]pyrimidin-7-one
CID 46188425
8-ethyl-2-[[(1S)-1-[4-[[(2R)-2-propan-2-yl-4-prop-1-enylpiperazin-1-yl]methyl]phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 175513346
8-ethyl-2-[[(1S)-1-[4-[[(2S)-2-propan-2-yl-4-prop-1-enylpiperazin-1-yl]methyl]phenyl]ethyl]amino]pyrido[2,3-d]pyrimidin-7-one
CID 175513361
2-(tert-butylamino)-N-cyclopentylpyrimidine-5-carboxamide
CID 109249591
N-cyclopropyl-6-[1-(4-methylphenyl)ethylamino]pyridine-3-carboxamide
CID 167783479
1-N-cyclohexyl-4-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109044795

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide?
The IUPAC name of N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide (CID 150812735) is N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide.
What is the SMILES notation for N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide?
The canonical SMILES for N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide is C[C@H](Nc1ncc2ccc(=O)n(CC(C)(C)C)c2n1)c1ccc(C(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide?
The InChIKey is KIFQDUJJEIXDIG-SFHVURJKSA-N. The full InChI is InChI=1S/C27H35N5O2/c1-18(19-10-12-20(13-11-19)25(34)30-22-8-6-5-7-9-22)29-26-28-16-21-14-15-23(33)32(24(21)31-26)17-27(2,3)4/h10-16,18,22H,5-9,17H2,1-4H3,(H,30,34)(H,28,29,31)/t18-/m0/s1.
What are the key properties of N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide?
N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide has a molecular weight of 461.61 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[(1S)-1-[[8-(2,2-dimethylpropyl)-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]ethyl]benzamide is sourced from PubChem (CID 150812735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).