N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

About N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide

N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (PubChem CID 170634188) has the molecular formula C19H17ClN8O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name	N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
PubChem CID	170634188
Molecular Formula	C19H17ClN8O2
Molecular Weight	424.85 g/mol
Exact Mass	424.12
IUPAC Name	N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide
SMILES	Cc1ncc(NC(=O)CCl)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12
InChI	InChI=1S/C19H17ClN8O2/c1-11-15(6-14(9-21-11)23-17(29)7-20)24-19(30)18-26-25-16-5-12(3-4-28(16)18)13-8-22-27(2)10-13/h3-6,8-10H,7H2,1-2H3,(H,23,29)(H,24,30)
InChIKey	BCVAZJOIATWGBZ-UHFFFAOYSA-N
XLogP	2.26
TPSA	119.10 Å²
H-Bond Donors	2
H-Bond Acceptors	8
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.85
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide (CID 170634188) is N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is Cc1ncc(NC(=O)CCl)cc1NC(=O)c1nnc2cc(-c3cnn(C)c3)ccn12.

What is the InChIKey of N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

The InChIKey is BCVAZJOIATWGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN8O2/c1-11-15(6-14(9-21-11)23-17(29)7-20)24-19(30)18-26-25-16-5-12(3-4-28(16)18)13-8-22-27(2)10-13/h3-6,8-10H,7H2,1-2H3,(H,23,29)(H,24,30).

What are the key properties of N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide?

N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide has a molecular weight of 424.85 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[(2-chloroacetyl)amino]-2-methyl-3-pyridinyl]-7-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-3-carboxamide is sourced from PubChem (CID 170634188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).