3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide

C16H14ClN5O — CID 97244358

IUPAC3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1Cl)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C16H14ClN5O/c1-11(20-16(23)14-6-7-18-10-15(14)17)12-2-4-13(5-3-12)22-9-8-19-21-22/h2-11H,1H3,(H,20,23)/t11-/m0/s1
InChIKeyQYTMSSLPMTZBGF-NSHDSACASA-N
MW327.78 g/mol
LogP2.81
Rot. Bonds4

About 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide

3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide (PubChem CID 97244358) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
PubChem CID97244358
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccncc1Cl)c1ccc(-n2ccnn2)cc1
InChIInChI=1S/C16H14ClN5O/c1-11(20-16(23)14-6-7-18-10-15(14)17)12-2-4-13(5-3-12)22-9-8-19-21-22/h2-11H,1H3,(H,20,23)/t11-/m0/s1
InChIKeyQYTMSSLPMTZBGF-NSHDSACASA-N
XLogP2.81
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-oxo-N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 97069718
6-methyl-2-oxo-N-[1-[4-(triazol-1-yl)phenyl]ethyl]-1H-pyridine-3-carboxamide
CID 71909355
(2R)-2-amino-N-[1-[4-(triazol-1-yl)phenyl]ethyl]propanamide
CID 120873593
N-[(1R)-1-[4-(triazol-1-yl)phenyl]ethyl]thiophene-3-carboxamide
CID 97244375
1-ethyl-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 97060214
4-methyl-N-[1-[4-(triazol-1-yl)phenyl]ethyl]piperidine-1-carboxamide
CID 75390249
2,4-dichloro-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 16574178
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
2-chloro-4-fluoro-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]benzamide
CID 31438784
3-chloro-N-(4-pyrazol-1-ylphenyl)pyridine-4-carboxamide
CID 66483325

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide (CID 97244358) is 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccncc1Cl)c1ccc(-n2ccnn2)cc1.
What is the InChIKey of 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide?
The InChIKey is QYTMSSLPMTZBGF-NSHDSACASA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-11(20-16(23)14-6-7-18-10-15(14)17)12-2-4-13(5-3-12)22-9-8-19-21-22/h2-11H,1H3,(H,20,23)/t11-/m0/s1.
What are the key properties of 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide?
3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide has a molecular weight of 327.78 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1S)-1-[4-(triazol-1-yl)phenyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 97244358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).