6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide

C12H12ClN5O — CID 62841226

IUPAC6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2nc(N)ccc2Cl)cn1
InChIInChI=1S/C12H12ClN5O/c1-7-4-16-8(5-15-7)6-17-12(19)11-9(13)2-3-10(14)18-11/h2-5H,6H2,1H3,(H2,14,18)(H,17,19)
InChIKeyNKALAHIVFFIQQO-UHFFFAOYSA-N
MW277.72 g/mol
LogP1.35
Rot. Bonds3

About 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide

6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 62841226) has the molecular formula C12H12ClN5O and a molecular weight of 277.72 g/mol. Its IUPAC name is 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID62841226
Molecular FormulaC12H12ClN5O
Molecular Weight277.72 g/mol
Exact Mass277.07
IUPAC Name6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
SMILESCc1cnc(CNC(=O)c2nc(N)ccc2Cl)cn1
InChIInChI=1S/C12H12ClN5O/c1-7-4-16-8(5-15-7)6-17-12(19)11-9(13)2-3-10(14)18-11/h2-5H,6H2,1H3,(H2,14,18)(H,17,19)
InChIKeyNKALAHIVFFIQQO-UHFFFAOYSA-N
XLogP1.35
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.72
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-3-chloro-N-ethylpyridine-2-carboxamide
CID 62154853
6-amino-3-chloro-N-[(2-ethylphenyl)methyl]pyridine-2-carboxamide
CID 64694581
5,6-dichloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62847930
(5-methylpyrazin-2-yl)methylurea
CID 62845946
6-amino-3-chloro-N-methylpyridine-2-carboxamide
CID 62156050
5-chloro-6-hydrazinyl-N-[(5-methylpyrazin-2-yl)methyl]pyridine-3-carboxamide
CID 62840708
6-amino-3-chloro-N-[(3-ethyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 82744378
6-amino-3-chloro-N-(2,2-dimethylpropyl)pyridine-2-carboxamide
CID 62159814
6-amino-3-chloro-N-(2-methylpropyl)pyridine-2-carboxamide
CID 62156560
6-amino-N-[(4-bromophenyl)methyl]-3-chloropyridine-2-carboxamide
CID 62156376
4-amino-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide
CID 62841400
5-chloro-2-fluoro-N-[(5-methylpyrazin-2-yl)methyl]benzamide
CID 62847042

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide (CID 62841226) is 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide is Cc1cnc(CNC(=O)c2nc(N)ccc2Cl)cn1.
What is the InChIKey of 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NKALAHIVFFIQQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN5O/c1-7-4-16-8(5-15-7)6-17-12(19)11-9(13)2-3-10(14)18-11/h2-5H,6H2,1H3,(H2,14,18)(H,17,19).
What are the key properties of 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide?
6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 277.72 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-N-[(5-methylpyrazin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62841226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).