N-methylpyridine-3-carboxamide chloride

C7H8ClN2O- — CID 20976730

IUPACN-methylpyridine-3-carboxamide chloride
SMILESCNC(=O)c1cccnc1.[Cl-]
InChIInChI=1S/C7H8N2O.ClH/c1-8-7(10)6-3-2-4-9-5-6;/h2-5H,1H3,(H,8,10);1H/p-1
InChIKeyIDGQLRKIJLKDRL-UHFFFAOYSA-M
MW171.61 g/mol
LogP-2.55
Rot. Bonds1

About N-methylpyridine-3-carboxamide chloride

N-methylpyridine-3-carboxamide chloride (PubChem CID 20976730) has the molecular formula C7H8ClN2O- and a molecular weight of 171.61 g/mol. Its IUPAC name is N-methylpyridine-3-carboxamide chloride.

Molecular Properties

Compound NameN-methylpyridine-3-carboxamide chloride
PubChem CID20976730
Molecular FormulaC7H8ClN2O-
Molecular Weight171.61 g/mol
Exact Mass171.03
IUPAC NameN-methylpyridine-3-carboxamide chloride
SMILESCNC(=O)c1cccnc1.[Cl-]
InChIInChI=1S/C7H8N2O.ClH/c1-8-7(10)6-3-2-4-9-5-6;/h2-5H,1H3,(H,8,10);1H/p-1
InChIKeyIDGQLRKIJLKDRL-UHFFFAOYSA-M
XLogP-2.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.61
LogP ≤ 5-2.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trimethyl-(pyridine-3-carbonylamino)azanium
CID 177120197
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
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(111C)methyl pyridine-3-carboxylate
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N-methyl-2-(pyridine-3-carboximidoyl)benzamide
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1-methyl-3-(pyridine-3-carbonylamino)(14C)thiourea
CID 25193705
1-pyridin-3-ylethanone;hydrochloride
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methyl N,N'-bis(pyridine-3-carbonyl)carbamimidoselenoate
CID 52913094
N-[cyano(pyridin-3-yl)methyl]pyridine-3-carboxamide
CID 82117028
N-(2-pyridin-3-ylpropan-2-yl)pyridine-3-carboxamide
CID 110870312
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
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CID 54216769

Frequently Asked Questions

What is the IUPAC name of N-methylpyridine-3-carboxamide chloride?
The IUPAC name of N-methylpyridine-3-carboxamide chloride (CID 20976730) is N-methylpyridine-3-carboxamide chloride.
What is the SMILES notation for N-methylpyridine-3-carboxamide chloride?
The canonical SMILES for N-methylpyridine-3-carboxamide chloride is CNC(=O)c1cccnc1.[Cl-].
What is the InChIKey of N-methylpyridine-3-carboxamide chloride?
The InChIKey is IDGQLRKIJLKDRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O.ClH/c1-8-7(10)6-3-2-4-9-5-6;/h2-5H,1H3,(H,8,10);1H/p-1.
What are the key properties of N-methylpyridine-3-carboxamide chloride?
N-methylpyridine-3-carboxamide chloride has a molecular weight of 171.61 g/mol, XLogP of -2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyridine-3-carboxamide chloride is sourced from PubChem (CID 20976730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).