N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide

C25H32N4O3 — CID 92619974

IUPACN-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide
SMILESCc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C3CCCC3)nc21
InChIInChI=1S/C25H32N4O3/c1-17-8-4-7-11-21(17)32-15-14-29-23(30)13-12-20-18(2)26-22(27-24(20)29)16-28(3)25(31)19-9-5-6-10-19/h4,7-8,11,19H,5-6,9-10,12-16H2,1-3H3
InChIKeyNGRXAACTXYIKKA-UHFFFAOYSA-N
MW436.56 g/mol
LogP3.60
Rot. Bonds7

About N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide

N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide (PubChem CID 92619974) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide
PubChem CID92619974
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC NameN-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide
SMILESCc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C3CCCC3)nc21
InChIInChI=1S/C25H32N4O3/c1-17-8-4-7-11-21(17)32-15-14-29-23(30)13-12-20-18(2)26-22(27-24(20)29)16-28(3)25(31)19-9-5-6-10-19/h4,7-8,11,19H,5-6,9-10,12-16H2,1-3H3
InChIKeyNGRXAACTXYIKKA-UHFFFAOYSA-N
XLogP3.60
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
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
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-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193808
N-[[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
(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
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-[[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-[[(2-methoxy-3-methylphenyl)methyl-methylamino]methyl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92620162
N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 110260504
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide?
The IUPAC name of 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) is N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide is Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)C3CCCC3)nc21.
What is the InChIKey of N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide?
The InChIKey is NGRXAACTXYIKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17-8-4-7-11-21(17)32-15-14-29-23(30)13-12-20-18(2)26-22(27-24(20)29)16-28(3)25(31)19-9-5-6-10-19/h4,7-8,11,19H,5-6,9-10,12-16H2,1-3H3.
What are the key properties of N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide?
N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide has a molecular weight of 436.56 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[4-methyl-8-[2-(2-methylphenoxy)ethyl]-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 92619974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).