N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide

C20H20N4O2 — CID 70715770

IUPACN-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)C(C)c3ccccn3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-7-9-15(10-8-13)18-22-12-16(19(25)23-18)20(26)24(3)14(2)17-6-4-5-11-21-17/h4-12,14H,1-3H3,(H,22,23,25)
InChIKeyVQZZHFXTLZYGHO-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.97
Rot. Bonds4

About N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide

N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70715770) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70715770
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)C(C)c3ccccn3)c(=O)[nH]2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-7-9-15(10-8-13)18-22-12-16(19(25)23-18)20(26)24(3)14(2)17-6-4-5-11-21-17/h4-12,14H,1-3H3,(H,22,23,25)
InChIKeyVQZZHFXTLZYGHO-UHFFFAOYSA-N
XLogP2.97
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
CID 70711569
N,2,7-trimethyl-N-(1-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 46984242
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1S)-1-(1,2-oxazol-3-yl)ethyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 97116777
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718296
N-methyl-2-(2-methyl-1,3-thiazol-4-yl)-6-oxo-N-[(1S)-1-pyridin-4-ylethyl]-1H-pyrimidine-5-carboxamide
CID 97153313
(2R)-2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 124590926
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718184
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70745592

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide (CID 70715770) is N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)N(C)C(C)c3ccccn3)c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is VQZZHFXTLZYGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-7-9-15(10-8-13)18-22-12-16(19(25)23-18)20(26)24(3)14(2)17-6-4-5-11-21-17/h4-12,14H,1-3H3,(H,22,23,25).
What are the key properties of N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide?
N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70715770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).