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

C16H13N9O — CID 51091803

IUPAC2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C16H13N9O/c26-16(12-3-5-19-14(6-12)24-10-17-8-22-24)21-7-13-2-1-4-20-15(13)25-11-18-9-23-25/h1-6,8-11H,7H2,(H,21,26)
InChIKeyUGXMTTQVYZGWRP-UHFFFAOYSA-N
MW347.34 g/mol
LogP0.57
Rot. Bonds5

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

2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide (PubChem CID 51091803) has the molecular formula C16H13N9O and a molecular weight of 347.34 g/mol. Its IUPAC name is 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
PubChem CID51091803
Molecular FormulaC16H13N9O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1cccnc1-n1cncn1)c1ccnc(-n2cncn2)c1
InChIInChI=1S/C16H13N9O/c26-16(12-3-5-19-14(6-12)24-10-17-8-22-24)21-7-13-2-1-4-20-15(13)25-11-18-9-23-25/h1-6,8-11H,7H2,(H,21,26)
InChIKeyUGXMTTQVYZGWRP-UHFFFAOYSA-N
XLogP0.57
TPSA116.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

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Related Compounds

2-propyl-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 50973850
N-[(2-imidazol-1-ylphenyl)methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51092191
3-(piperidin-1-ylmethyl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 155951667
3-methyl-4-(tetrazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 47036805
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60526072
3-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-4H-1,4-benzothiazine-6-carboxamide
CID 47036861
4-methoxy-3-nitro-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzamide
CID 55721166
N-[3-(pyrimidin-2-ylamino)propyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091827
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525782
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55720371
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525736
N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]benzo[f]quinoline-5-carboxamide
CID 55841050

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide (CID 51091803) is 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide is O=C(NCc1cccnc1-n1cncn1)c1ccnc(-n2cncn2)c1.
What is the InChIKey of 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
The InChIKey is UGXMTTQVYZGWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N9O/c26-16(12-3-5-19-14(6-12)24-10-17-8-22-24)21-7-13-2-1-4-20-15(13)25-11-18-9-23-25/h1-6,8-11H,7H2,(H,21,26).
What are the key properties of 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide?
2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide has a molecular weight of 347.34 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-triazol-1-yl)-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 51091803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).