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

C24H28N6O3 — CID 92619978

IUPACN,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
SMILESCc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3cnn(C)c3)nc21
InChIInChI=1S/C24H28N6O3/c1-16-7-5-6-8-20(16)33-12-11-30-22(31)10-9-19-17(2)26-21(27-23(19)30)15-28(3)24(32)18-13-25-29(4)14-18/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyCPBRZRDKKDQMDX-UHFFFAOYSA-N
MW448.53 g/mol
LogP2.46
Rot. Bonds7

About 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

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 (PubChem CID 92619978) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN,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
PubChem CID92619978
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC NameN,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
SMILESCc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3cnn(C)c3)nc21
InChIInChI=1S/C24H28N6O3/c1-16-7-5-6-8-20(16)33-12-11-30-22(31)10-9-19-17(2)26-21(27-23(19)30)15-28(3)24(32)18-13-25-29(4)14-18/h5-8,13-14H,9-12,15H2,1-4H3
InChIKeyCPBRZRDKKDQMDX-UHFFFAOYSA-N
XLogP2.46
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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Related Compounds

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-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 92620179
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
2-ethyl-8-[2-(2-methoxyphenoxy)ethyl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193808
1-[2-(2-methylphenoxy)ethyl]pyrrolidine-2,5-dione
CID 82116147
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-benzyl-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)methyl]-2-(3,4-dimethylphenyl)-N-methylacetamide
CID 92620140
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
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-methylphenyl) 1-methylpyrazole-4-carboxylate
CID 78817311
(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-[[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccccc1OCCN1C(=O)CCc2c(C)nc(CN(C)C(=O)c3cnn(C)c3)nc21.
What is the InChIKey of 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?
The InChIKey is CPBRZRDKKDQMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-16-7-5-6-8-20(16)33-12-11-30-22(31)10-9-19-17(2)26-21(27-23(19)30)15-28(3)24(32)18-13-25-29(4)14-18/h5-8,13-14H,9-12,15H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 448.53 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92619978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).