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

C24H28N6O3 — CID 92620143

IUPACN-[(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
SMILESCCc1noc(CCC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)n1
InChIInChI=1S/C24H28N6O3/c1-4-19-26-21(33-28-19)11-13-22(31)29(3)15-20-25-16(2)18-10-12-23(32)30(24(18)27-20)14-17-8-6-5-7-9-17/h5-9H,4,10-15H2,1-3H3
InChIKeyAMWPZVBQPWCNDE-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.80
Rot. Bonds8

About 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

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 (PubChem CID 92620143) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID92620143
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN-[(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
SMILESCCc1noc(CCC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)n1
InChIInChI=1S/C24H28N6O3/c1-4-19-26-21(33-28-19)11-13-22(31)29(3)15-20-25-16(2)18-10-12-23(32)30(24(18)27-20)14-17-8-6-5-7-9-17/h5-9H,4,10-15H2,1-3H3
InChIKeyAMWPZVBQPWCNDE-UHFFFAOYSA-N
XLogP2.80
TPSA105.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761
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
2-(4-benzyl-3-methyl-5-oxo-1,2,4-triazol-1-yl)-N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 70770191
N-benzyl-N-methyl-3-[3-[[4-(3-methylbutanoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 20918444
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
(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-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-benzyl-3-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
CID 20918448
(2R)-N-methyl-N-[[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]butane-2-sulfonamide
CID 92620158
N-benzyl-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46537162

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1noc(CCC(=O)N(C)Cc2nc(C)c3c(n2)N(Cc2ccccc2)C(=O)CC3)n1.
What is the InChIKey of 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?
The InChIKey is AMWPZVBQPWCNDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-4-19-26-21(33-28-19)11-13-22(31)29(3)15-20-25-16(2)18-10-12-23(32)30(24(18)27-20)14-17-8-6-5-7-9-17/h5-9H,4,10-15H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 448.53 g/mol, XLogP of 2.80, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92620143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).