N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide

C18H14N8O2 — CID 176705792

IUPACN-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(-c2ncn[nH]2)n1
InChIInChI=1S/C18H14N8O2/c19-16(27)15-14(9-26(25-15)11-5-2-1-3-6-11)23-18(28)13-8-4-7-12(22-13)17-20-10-21-24-17/h1-10H,(H2,19,27)(H,23,28)(H,20,21,24)
InChIKeyAJWBLNSLYJPFEO-UHFFFAOYSA-N
MW374.36 g/mol
LogP1.40
Rot. Bonds5

About N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide

N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide (PubChem CID 176705792) has the molecular formula C18H14N8O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
PubChem CID176705792
Molecular FormulaC18H14N8O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC NameN-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide
SMILESNC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(-c2ncn[nH]2)n1
InChIInChI=1S/C18H14N8O2/c19-16(27)15-14(9-26(25-15)11-5-2-1-3-6-11)23-18(28)13-8-4-7-12(22-13)17-20-10-21-24-17/h1-10H,(H2,19,27)(H,23,28)(H,20,21,24)
InChIKeyAJWBLNSLYJPFEO-UHFFFAOYSA-N
XLogP1.40
TPSA144.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-phenyl-3-(propan-2-ylcarbamoyl)pyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705832
N-[3-(azetidin-2-yl)-1-phenylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705935
N-[3-(cyclopropylcarbamoyl)-1-pyridin-3-ylpyrazol-4-yl]-6-(1H-pyrazol-5-yl)pyridine-2-carboxamide
CID 176705477
1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
N-(3-amino-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705983
4-(carbamoylamino)-1-(4-methylphenyl)pyrazole-3-carboxamide
CID 11379910
methyl 4-[3-carbamoyl-4-[[6-[2-[ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carbonyl]amino]pyrazol-1-yl]benzoate
CID 160976953
4-[[3-[2-(hydroxymethyl)morpholin-4-yl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 176705203
4-[[3-[(4,4-dimethyl-5-oxo-2-sulfanylimidazolidin-1-yl)methyl]benzoyl]amino]-1-phenylpyrazole-3-carboxamide
CID 176705883
4-(carbamoylamino)-1-naphthalen-1-ylpyrazole-3-carboxamide
CID 73386651
3-methyl-1-phenyl-N-(1H-1,2,4-triazol-5-yl)pyrazole-4-carboxamide
CID 155944724
N-(3-ethoxy-1-phenylpyrazol-4-yl)-6-(trifluoromethyl)pyridine-2-carboxamide
CID 176705662

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide (CID 176705792) is N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide is NC(=O)c1nn(-c2ccccc2)cc1NC(=O)c1cccc(-c2ncn[nH]2)n1.
What is the InChIKey of N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
The InChIKey is AJWBLNSLYJPFEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N8O2/c19-16(27)15-14(9-26(25-15)11-5-2-1-3-6-11)23-18(28)13-8-4-7-12(22-13)17-20-10-21-24-17/h1-10H,(H2,19,27)(H,23,28)(H,20,21,24).
What are the key properties of N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide?
N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide has a molecular weight of 374.36 g/mol, XLogP of 1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-phenylpyrazol-4-yl)-6-(1H-1,2,4-triazol-5-yl)pyridine-2-carboxamide is sourced from PubChem (CID 176705792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).