3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide

C19H17ClN8O — CID 78878591

IUPAC3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cccnc3-n3cncn3)n2)n1
InChIInChI=1S/C19H17ClN8O/c1-12-8-13(2)28(26-12)16-6-5-15(20)17(25-16)19(29)23-9-14-4-3-7-22-18(14)27-11-21-10-24-27/h3-8,10-11H,9H2,1-2H3,(H,23,29)
InChIKeyGBVYCWOZZLMLPS-UHFFFAOYSA-N
MW408.85 g/mol
LogP2.44
Rot. Bonds5

About 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide

3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 78878591) has the molecular formula C19H17ClN8O and a molecular weight of 408.85 g/mol. Its IUPAC name is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
PubChem CID78878591
Molecular FormulaC19H17ClN8O
Molecular Weight408.85 g/mol
Exact Mass408.12
IUPAC Name3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide
SMILESCc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cccnc3-n3cncn3)n2)n1
InChIInChI=1S/C19H17ClN8O/c1-12-8-13(2)28(26-12)16-6-5-15(20)17(25-16)19(29)23-9-14-4-3-7-22-18(14)27-11-21-10-24-27/h3-8,10-11H,9H2,1-2H3,(H,23,29)
InChIKeyGBVYCWOZZLMLPS-UHFFFAOYSA-N
XLogP2.44
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(1-benzylpyrazol-4-yl)methyl]-3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 78875751
6-chloro-2-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]quinoline-3-carboxamide
CID 47036764
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 51091803
3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55349924
5-methyl-2-phenyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 47036749
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[3-(methylamino)propyl]pyridine-2-carboxamide
CID 119431879
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]thiophene-2-carboxamide
CID 55840655
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyridine-2-carboxamide
CID 134000627
7-methyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 47036833
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 78785341
3-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxamide
CID 55348261
1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyrazole-4-carboxamide
CID 55720282

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide (CID 78878591) is 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide is Cc1cc(C)n(-c2ccc(Cl)c(C(=O)NCc3cccnc3-n3cncn3)n2)n1.
What is the InChIKey of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
The InChIKey is GBVYCWOZZLMLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8O/c1-12-8-13(2)28(26-12)16-6-5-15(20)17(25-16)19(29)23-9-14-4-3-7-22-18(14)27-11-21-10-24-27/h3-8,10-11H,9H2,1-2H3,(H,23,29).
What are the key properties of 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide?
3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide has a molecular weight of 408.85 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,5-dimethylpyrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 78878591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).