2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide

C14H11Cl2N5O — CID 7693263

IUPAC2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12
InChIInChI=1S/C14H11Cl2N5O/c1-8(13-20-19-12-4-2-3-5-21(12)13)17-14(22)9-6-10(15)18-11(16)7-9/h2-8H,1H3,(H,17,22)/t8-/m0/s1
InChIKeyZFCPXECKLWBWTR-QMMMGPOBSA-N
MW336.18 g/mol
LogP2.92
Rot. Bonds3

About 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide

2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 7693263) has the molecular formula C14H11Cl2N5O and a molecular weight of 336.18 g/mol. Its IUPAC name is 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID7693263
Molecular FormulaC14H11Cl2N5O
Molecular Weight336.18 g/mol
Exact Mass335.03
IUPAC Name2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12
InChIInChI=1S/C14H11Cl2N5O/c1-8(13-20-19-12-4-2-3-5-21(12)13)17-14(22)9-6-10(15)18-11(16)7-9/h2-8H,1H3,(H,17,22)/t8-/m0/s1
InChIKeyZFCPXECKLWBWTR-QMMMGPOBSA-N
XLogP2.92
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51247608
N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-3-carboxamide
CID 23474179
7-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 51247932
2-oxo-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyridine-4-carboxamide
CID 103762817
4-chloro-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 47013078
4-(difluoromethylsulfanyl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51326980
1,2-dimethyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzimidazole-5-carboxamide
CID 95306915
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]naphthalene-1-carboxamide
CID 47013032
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-1H-indole-2-carboxamide
CID 51247901
3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 97265928
3-(dimethylsulfamoyl)-4,5-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 134030736
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethylsulfanyl)benzamide
CID 51248032

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide (CID 7693263) is 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1cc(Cl)nc(Cl)c1)c1nnc2ccccn12.
What is the InChIKey of 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is ZFCPXECKLWBWTR-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H11Cl2N5O/c1-8(13-20-19-12-4-2-3-5-21(12)13)17-14(22)9-6-10(15)18-11(16)7-9/h2-8H,1H3,(H,17,22)/t8-/m0/s1.
What are the key properties of 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide?
2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 336.18 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 7693263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).