6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide

C13H14ClN7O3 — CID 176575728

IUPAC6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)CNC(=O)Cn2ccnn2)c(Cl)n1
InChIInChI=1S/C13H14ClN7O3/c1-15-13(24)9-3-2-8(12(14)19-9)18-10(22)6-16-11(23)7-21-5-4-17-20-21/h2-5H,6-7H2,1H3,(H,15,24)(H,16,23)(H,18,22)
InChIKeyRQMBXVUSDFGYHI-UHFFFAOYSA-N
MW351.75 g/mol
LogP-0.56
Rot. Bonds6

About 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide

6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide (PubChem CID 176575728) has the molecular formula C13H14ClN7O3 and a molecular weight of 351.75 g/mol. Its IUPAC name is 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide
PubChem CID176575728
Molecular FormulaC13H14ClN7O3
Molecular Weight351.75 g/mol
Exact Mass351.08
IUPAC Name6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(NC(=O)CNC(=O)Cn2ccnn2)c(Cl)n1
InChIInChI=1S/C13H14ClN7O3/c1-15-13(24)9-3-2-8(12(14)19-9)18-10(22)6-16-11(23)7-21-5-4-17-20-21/h2-5H,6-7H2,1H3,(H,15,24)(H,16,23)(H,18,22)
InChIKeyRQMBXVUSDFGYHI-UHFFFAOYSA-N
XLogP-0.56
TPSA130.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.75
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-difluoro-3-pyridinyl)-2-(triazol-1-yl)acetamide
CID 103097798
N-(2-methylprop-2-enyl)-2-(triazol-1-yl)acetamide
CID 114618475
N-[5-chloro-2-(propylamino)phenyl]-2-(triazol-1-yl)acetamide
CID 75448832
N-(3-bromo-4-methylphenyl)-2-(triazol-1-yl)acetamide
CID 79832173
N-[(4-hydroxyphenyl)methyl]-2-(triazol-1-yl)acetamide
CID 113264687
2-[[[2-(triazol-1-yl)acetyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 113291685
3-fluoro-4-[[2-(triazol-1-yl)acetyl]amino]benzoic acid
CID 113291663
N-[2-chloro-5-(4-hydroxybut-1-ynyl)phenyl]-2-(triazol-1-yl)acetamide
CID 115348490
N-(4-hydroxy-2,2-dimethylbutyl)-2-(triazol-1-yl)acetamide
CID 103825183
N-(3,5-dichloro-4-hydroxyphenyl)-2-(triazol-1-yl)acetamide
CID 82885275
3-[[2-(triazol-1-yl)acetyl]amino]pyridine-2-carboxylic acid
CID 104740211
N-(4-hydroxy-3-methylphenyl)-2-(triazol-1-yl)acetamide
CID 113290212

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide (CID 176575728) is 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide is CNC(=O)c1ccc(NC(=O)CNC(=O)Cn2ccnn2)c(Cl)n1.
What is the InChIKey of 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide?
The InChIKey is RQMBXVUSDFGYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7O3/c1-15-13(24)9-3-2-8(12(14)19-9)18-10(22)6-16-11(23)7-21-5-4-17-20-21/h2-5H,6-7H2,1H3,(H,15,24)(H,16,23)(H,18,22).
What are the key properties of 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide?
6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide has a molecular weight of 351.75 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-methyl-5-[[2-[[2-(triazol-1-yl)acetyl]amino]acetyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 176575728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).