6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide

C20H16N6O2 — CID 70770534

IUPAC6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C20H16N6O2/c27-19(16-13-22-18(25-20(16)28)17-7-1-2-8-21-17)23-12-14-5-3-6-15(11-14)26-10-4-9-24-26/h1-11,13H,12H2,(H,23,27)(H,22,25,28)
InChIKeyMZWRSPVXQPIIKV-UHFFFAOYSA-N
MW372.39 g/mol
LogP1.95
Rot. Bonds5

About 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide

6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (PubChem CID 70770534) has the molecular formula C20H16N6O2 and a molecular weight of 372.39 g/mol. Its IUPAC name is 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
PubChem CID70770534
Molecular FormulaC20H16N6O2
Molecular Weight372.39 g/mol
Exact Mass372.13
IUPAC Name6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cccc(-n2cccn2)c1)c1cnc(-c2ccccn2)[nH]c1=O
InChIInChI=1S/C20H16N6O2/c27-19(16-13-22-18(25-20(16)28)17-7-1-2-8-21-17)23-12-14-5-3-6-15(11-14)26-10-4-9-24-26/h1-11,13H,12H2,(H,23,27)(H,22,25,28)
InChIKeyMZWRSPVXQPIIKV-UHFFFAOYSA-N
XLogP1.95
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,6-Diethylphenyl)-5-[3-(3-fluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 137198078
3-(2,6-diethylphenyl)-5-[(3R)-3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 168293355
2-[6-Chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-N-(2-pyrazol-1-yl-benzyl)-acetamide
CID 10228750
N-[(4-fluorophenyl)methyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 44230665
N-benzhydryl-6-oxo-2-pyridazin-3-yl-1H-pyrimidine-5-carboxamide
CID 44231076
2-(1-methylpyrazol-3-yl)-6-oxo-N-(2-phenylpropan-2-yl)-1H-pyrimidine-5-carboxamide
CID 44231438
N-[3-[[[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475658
1-[3-(3-methylanilino)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372875
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-phenylprop-2-enamide
CID 125487493
4-[[3-(Prop-2-enoylamino)phenyl]methylamino]pyrrolo[1,2-b]pyridazine-3-carboxamide
CID 137654424
N-[3-[6-[[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162644025
N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]prop-2-enamide
CID 162668677

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide (CID 70770534) is 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is O=C(NCc1cccc(-n2cccn2)c1)c1cnc(-c2ccccn2)[nH]c1=O.
What is the InChIKey of 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is MZWRSPVXQPIIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O2/c27-19(16-13-22-18(25-20(16)28)17-7-1-2-8-21-17)23-12-14-5-3-6-15(11-14)26-10-4-9-24-26/h1-11,13H,12H2,(H,23,27)(H,22,25,28).
What are the key properties of 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide?
6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 372.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[(3-pyrazol-1-ylphenyl)methyl]-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70770534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).