(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide

C25H30N4O3 — CID 92620206

IUPAC(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)[C@H]4CC45CCC5)nc32)c1
InChIInChI=1S/C25H30N4O3/c1-16-19-8-9-22(30)29(14-17-6-4-7-18(12-17)32-3)23(19)27-21(26-16)15-28(2)24(31)20-13-25(20)10-5-11-25/h4,6-7,12,20H,5,8-11,13-15H2,1-3H3/t20-/m1/s1
InChIKeyRFGLGBGAIJVLAS-HXUWFJFHSA-N
MW434.54 g/mol
LogP3.42
Rot. Bonds6

About (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide

(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide (PubChem CID 92620206) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
PubChem CID92620206
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)[C@H]4CC45CCC5)nc32)c1
InChIInChI=1S/C25H30N4O3/c1-16-19-8-9-22(30)29(14-17-6-4-7-18(12-17)32-3)23(19)27-21(26-16)15-28(2)24(31)20-13-25(20)10-5-11-25/h4,6-7,12,20H,5,8-11,13-15H2,1-3H3/t20-/m1/s1
InChIKeyRFGLGBGAIJVLAS-HXUWFJFHSA-N
XLogP3.42
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide 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

N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-[(2S)-oxolan-2-yl]acetamide
CID 92620167
2-methoxy-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,2-dimethylpropanamide
CID 92620209
N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92620179
N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 92620140
N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide
CID 92619974
N-[[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761
N-[(8-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-3-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylpropanamide
CID 92620143
N-[[8-[2-(1H-indol-3-yl)ethyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylcyclopentanecarboxamide
CID 92620000
2-cyclopent-2-en-1-yl-N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide
CID 110260512
7-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-propanoylpiperidin-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261597
N-benzyl-1-[(3-methoxyphenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 46109759
N,1-dimethyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]pyrazole-4-carboxamide
CID 92619978

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide?
The IUPAC name of (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide (CID 92620206) is (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide.
What is the SMILES notation for (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide?
The canonical SMILES for (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide is COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)[C@H]4CC45CCC5)nc32)c1.
What is the InChIKey of (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide?
The InChIKey is RFGLGBGAIJVLAS-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-19-8-9-22(30)29(14-17-6-4-7-18(12-17)32-3)23(19)27-21(26-16)15-28(2)24(31)20-13-25(20)10-5-11-25/h4,6-7,12,20H,5,8-11,13-15H2,1-3H3/t20-/m1/s1.
What are the key properties of (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide?
(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide is sourced from PubChem (CID 92620206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).