6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide

C16H12ClN7O — CID 164935954

IUPAC6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1cccc(Cl)n1)c1ncnn1-c1ccc(C#N)cn1
InChIInChI=1S/C16H12ClN7O/c1-10(22-16(25)12-3-2-4-13(17)23-12)15-20-9-21-24(15)14-6-5-11(7-18)8-19-14/h2-6,8-10H,1H3,(H,22,25)/t10-/m0/s1
InChIKeyGDWNQHHDHZWTFD-JTQLQIEISA-N
MW353.77 g/mol
LogP2.07
Rot. Bonds4

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

6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide (PubChem CID 164935954) has the molecular formula C16H12ClN7O and a molecular weight of 353.77 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide
PubChem CID164935954
Molecular FormulaC16H12ClN7O
Molecular Weight353.77 g/mol
Exact Mass353.08
IUPAC Name6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide
SMILESC[C@H](NC(=O)c1cccc(Cl)n1)c1ncnn1-c1ccc(C#N)cn1
InChIInChI=1S/C16H12ClN7O/c1-10(22-16(25)12-3-2-4-13(17)23-12)15-20-9-21-24(15)14-6-5-11(7-18)8-19-14/h2-6,8-10H,1H3,(H,22,25)/t10-/m0/s1
InChIKeyGDWNQHHDHZWTFD-JTQLQIEISA-N
XLogP2.07
TPSA109.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

3,5-dichloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 162496214
3-bromo-5-chloro-N-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 146486802
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3,4,5-trifluorobenzamide
CID 162496253
3-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethoxy)benzamide;sulfane
CID 163864970
N-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-2,3-bis(trifluoromethyl)-2,3-dihydropyridine-5-carboxamide
CID 166878647
N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3-fluoro-5-(trifluoromethyl)benzamide;sulfane
CID 163604754
3-bromo-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-propan-2-yloxybenzamide
CID 164935942
3-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-cyclopropylsulfonylbenzamide
CID 164930561
N-[(1R)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide;sulfane
CID 161132358
1-[2-bromo-4-chloro-5-(trifluoromethyl)phenyl]-3-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]urea
CID 171409444
1-[1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-3-[2,4-dichloro-5-(trifluoromethyl)phenyl]urea
CID 174221856
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]urea
CID 171409532

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide (CID 164935954) is 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide is C[C@H](NC(=O)c1cccc(Cl)n1)c1ncnn1-c1ccc(C#N)cn1.
What is the InChIKey of 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is GDWNQHHDHZWTFD-JTQLQIEISA-N. The full InChI is InChI=1S/C16H12ClN7O/c1-10(22-16(25)12-3-2-4-13(17)23-12)15-20-9-21-24(15)14-6-5-11(7-18)8-19-14/h2-6,8-10H,1H3,(H,22,25)/t10-/m0/s1.
What are the key properties of 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide?
6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 353.77 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1S)-1-[2-(5-cyano-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 164935954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).