4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide

C13H12ClN5O — CID 47013078

IUPAC4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c[nH]1)c1nnc2ccccn12
InChIInChI=1S/C13H12ClN5O/c1-8(16-13(20)10-6-9(14)7-15-10)12-18-17-11-4-2-3-5-19(11)12/h2-8,15H,1H3,(H,16,20)
InChIKeyNBVNATOIBAVTSJ-UHFFFAOYSA-N
MW289.73 g/mol
LogP2.20
Rot. Bonds3

About 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 47013078) has the molecular formula C13H12ClN5O and a molecular weight of 289.73 g/mol. Its IUPAC name is 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID47013078
Molecular FormulaC13H12ClN5O
Molecular Weight289.73 g/mol
Exact Mass289.07
IUPAC Name4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCC(NC(=O)c1cc(Cl)c[nH]1)c1nnc2ccccn12
InChIInChI=1S/C13H12ClN5O/c1-8(16-13(20)10-6-9(14)7-15-10)12-18-17-11-4-2-3-5-19(11)12/h2-8,15H,1H3,(H,16,20)
InChIKeyNBVNATOIBAVTSJ-UHFFFAOYSA-N
XLogP2.20
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.73
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chlorophenyl)-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 30298139
3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
CID 7693263
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 51247901
6-chloro-4-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-quinoline-3-carboxamide
CID 91823513
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
3-(3,4-dimethoxyphenyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 75357118
6-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2H-chromene-3-carboxamide
CID 47013832
2-(2,5-dichlorophenyl)-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]acetamide
CID 96548439
5-chloro-3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 47013085
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
2-(methylamino)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propanamide
CID 55097089

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 47013078) is 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide is CC(NC(=O)c1cc(Cl)c[nH]1)c1nnc2ccccn12.
What is the InChIKey of 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NBVNATOIBAVTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5O/c1-8(16-13(20)10-6-9(14)7-15-10)12-18-17-11-4-2-3-5-19(11)12/h2-8,15H,1H3,(H,16,20).
What are the key properties of 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 289.73 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 47013078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).