2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

C11H13ClN6O — CID 114922476

IUPAC2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(N)ncc1Cl)c1nncn1C
InChIInChI=1S/C11H13ClN6O/c1-6(10-17-15-5-18(10)2)16-11(19)7-3-9(13)14-4-8(7)12/h3-6H,1-2H3,(H2,13,14)(H,16,19)
InChIKeyHZEWEQRXRFAZER-UHFFFAOYSA-N
MW280.72 g/mol
LogP0.94
Rot. Bonds3

About 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide

2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (PubChem CID 114922476) has the molecular formula C11H13ClN6O and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
PubChem CID114922476
Molecular FormulaC11H13ClN6O
Molecular Weight280.72 g/mol
Exact Mass280.08
IUPAC Name2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
SMILESCC(NC(=O)c1cc(N)ncc1Cl)c1nncn1C
InChIInChI=1S/C11H13ClN6O/c1-6(10-17-15-5-18(10)2)16-11(19)7-3-9(13)14-4-8(7)12/h3-6H,1-2H3,(H2,13,14)(H,16,19)
InChIKeyHZEWEQRXRFAZER-UHFFFAOYSA-N
XLogP0.94
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117116
2-chloro-5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 106501729
5-amino-2-bromo-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62119905
2-amino-N-butan-2-yl-5-chloropyridine-4-carboxamide
CID 114921730
5-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 90648293
2-amino-5-chloro-N-[1-(5-chlorothiophen-2-yl)ethyl]pyridine-4-carboxamide
CID 114922653
3-chloro-4-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 62117193
6-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzodioxole-5-carboxamide
CID 103543064
2-amino-5-chloro-N-(4-methylpentan-2-yl)pyridine-4-carboxamide
CID 114922209
5-hydrazinyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-2-carboxamide
CID 104642269
2-[1-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]benzoic acid
CID 60941368
2-amino-5-chloro-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114923776

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide (CID 114922476) is 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is CC(NC(=O)c1cc(N)ncc1Cl)c1nncn1C.
What is the InChIKey of 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is HZEWEQRXRFAZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6O/c1-6(10-17-15-5-18(10)2)16-11(19)7-3-9(13)14-4-8(7)12/h3-6H,1-2H3,(H2,13,14)(H,16,19).
What are the key properties of 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide?
2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 280.72 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 114922476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).