2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide

C11H12ClN5O — CID 82874567

IUPAC2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(N)nc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c1-17-3-2-8(16-17)6-14-11(18)7-4-9(12)15-10(13)5-7/h2-5H,6H2,1H3,(H2,13,15)(H,14,18)
InChIKeyNICRHZLLSJENBA-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.98
Rot. Bonds3

About 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide

2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide (PubChem CID 82874567) has the molecular formula C11H12ClN5O and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
PubChem CID82874567
Molecular FormulaC11H12ClN5O
Molecular Weight265.70 g/mol
Exact Mass265.07
IUPAC Name2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
SMILESCn1ccc(CNC(=O)c2cc(N)nc(Cl)c2)n1
InChIInChI=1S/C11H12ClN5O/c1-17-3-2-8(16-17)6-14-11(18)7-4-9(12)15-10(13)5-7/h2-5H,6H2,1H3,(H2,13,15)(H,14,18)
InChIKeyNICRHZLLSJENBA-UHFFFAOYSA-N
XLogP0.98
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
3,5-dibromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 103908537
2-amino-6-chloro-N-[(6-methyl-2-pyridinyl)methyl]pyridine-4-carboxamide
CID 55057389
2-amino-6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 55041571
3-amino-4-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882800
2-amino-6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-4-carboxamide
CID 78918299
3,4-dimethyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330914
3-bromo-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 113460821
3-bromo-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19330923
5-amino-2-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 82882259
2-amino-N-(2-amino-2-oxoethyl)-6-chloropyridine-4-carboxamide
CID 62156055
2-amino-6-chloro-N-(3-imidazol-1-ylpropyl)pyridine-4-carboxamide
CID 55042022

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide (CID 82874567) is 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide is Cn1ccc(CNC(=O)c2cc(N)nc(Cl)c2)n1.
What is the InChIKey of 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
The InChIKey is NICRHZLLSJENBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN5O/c1-17-3-2-8(16-17)6-14-11(18)7-4-9(12)15-10(13)5-7/h2-5H,6H2,1H3,(H2,13,15)(H,14,18).
What are the key properties of 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide?
2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide has a molecular weight of 265.70 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 82874567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).