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

C24H30N4O4 — CID 92620167

IUPACN-[[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
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[C@@H]4CCCO4)nc32)c1
InChIInChI=1S/C24H30N4O4/c1-16-20-9-10-22(29)28(14-17-6-4-7-18(12-17)31-3)24(20)26-21(25-16)15-27(2)23(30)13-19-8-5-11-32-19/h4,6-7,12,19H,5,8-11,13-15H2,1-3H3/t19-/m0/s1
InChIKeyPDDGZTQCDWEQIZ-IBGZPJMESA-N
MW438.53 g/mol
LogP2.80
Rot. Bonds7

About 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

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 (PubChem CID 92620167) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[[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
PubChem CID92620167
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[[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
SMILESCOc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[C@@H]4CCCO4)nc32)c1
InChIInChI=1S/C24H30N4O4/c1-16-20-9-10-22(29)28(14-17-6-4-7-18(12-17)31-3)24(20)26-21(25-16)15-27(2)23(30)13-19-8-5-11-32-19/h4,6-7,12,19H,5,8-11,13-15H2,1-3H3/t19-/m0/s1
InChIKeyPDDGZTQCDWEQIZ-IBGZPJMESA-N
XLogP2.80
TPSA84.86 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(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
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-[(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-(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-[(3-methoxyphenyl)methyl]-2,3-dimethyl-N-(oxolan-2-ylmethyl)quinoxaline-6-carboxamide
CID 44779998
7-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-propanoylpiperidin-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261597
N-benzyl-N-methyl-2-(oxan-2-yl)acetamide
CID 110409576
8-(cyclopropylmethyl)-2-[1-(3-methoxybenzoyl)piperidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260734
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780
N-[(3-methoxyphenyl)methyl]-N-(oxolan-2-ylmethyl)formamide
CID 87894906

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cccc(CN2C(=O)CCc3c(C)nc(CN(C)C(=O)C[C@@H]4CCCO4)nc32)c1.
What is the InChIKey of 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?
The InChIKey is PDDGZTQCDWEQIZ-IBGZPJMESA-N. The full InChI is InChI=1S/C24H30N4O4/c1-16-20-9-10-22(29)28(14-17-6-4-7-18(12-17)31-3)24(20)26-21(25-16)15-27(2)23(30)13-19-8-5-11-32-19/h4,6-7,12,19H,5,8-11,13-15H2,1-3H3/t19-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 438.53 g/mol, XLogP of 2.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92620167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).