N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C20H19ClN4O2 — CID 72870603

IUPACN-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C20H19ClN4O2/c1-2-10-25(13-14-5-7-16(21)8-6-14)20(27)17-12-23-18(24-19(17)26)15-4-3-9-22-11-15/h3-9,11-12H,2,10,13H2,1H3,(H,23,24,26)
InChIKeyAOAWPWMNVKQHJW-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.54
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72870603) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID72870603
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC NameN-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCCN(Cc1ccc(Cl)cc1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C20H19ClN4O2/c1-2-10-25(13-14-5-7-16(21)8-6-14)20(27)17-12-23-18(24-19(17)26)15-4-3-9-22-11-15/h3-9,11-12H,2,10,13H2,1H3,(H,23,24,26)
InChIKeyAOAWPWMNVKQHJW-UHFFFAOYSA-N
XLogP3.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-(2-methoxyethyl)-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72858578
N-ethyl-6-oxo-N-(2-phenylsulfanylethyl)-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72928061
2-(4-chlorophenyl)-6-oxo-N-(pyridin-3-ylmethyl)-1H-pyrimidine-5-carboxamide
CID 108786175
N,N-dibenzyl-2-pyridin-3-yl-1H-imidazole-5-carboxamide
CID 59768233
N-(1,1-dioxothiolan-3-yl)-N-ethyl-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72897581
N-methyl-6-oxo-N-[3-[(2S)-oxolan-2-yl]propyl]-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97156070
2-amino-N-propyl-N-(pyridin-3-ylmethyl)benzamide
CID 89323235
N-(3-aminopropyl)-N-benzyl-2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 137099090
N-[(4-chlorophenyl)methyl]-N-pentyl-3-pyridin-3-ylpropanamide
CID 78807864
3-chloro-N,N-dipropylpyridine-4-carboxamide
CID 66463803
N-[(2R)-2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 97146618
N-[3-(2-methyl-6-oxo-1-pyridinyl)propyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
CID 72918666

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 72870603) is N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is CCCN(Cc1ccc(Cl)cc1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is AOAWPWMNVKQHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-2-10-25(13-14-5-7-16(21)8-6-14)20(27)17-12-23-18(24-19(17)26)15-4-3-9-22-11-15/h3-9,11-12H,2,10,13H2,1H3,(H,23,24,26).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 382.85 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-oxo-N-propyl-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72870603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).