6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

C12H18N4O — CID 62160287

IUPAC6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(N)nc2)C1
InChIInChI=1S/C12H18N4O/c1-16-5-4-9(8-16)6-15-12(17)10-2-3-11(13)14-7-10/h2-3,7,9H,4-6,8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyPNYNNPJTQZMYOZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.35
Rot. Bonds3

About 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide

6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (PubChem CID 62160287) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
PubChem CID62160287
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide
SMILESCN1CCC(CNC(=O)c2ccc(N)nc2)C1
InChIInChI=1S/C12H18N4O/c1-16-5-4-9(8-16)6-15-12(17)10-2-3-11(13)14-7-10/h2-3,7,9H,4-6,8H2,1H3,(H2,13,14)(H,15,17)
InChIKeyPNYNNPJTQZMYOZ-UHFFFAOYSA-N
XLogP0.35
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-N-[(1-ethylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 62162133
6-amino-N-[[(3R)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230665
6-amino-N-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230666
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955
6-amino-N-[[(3S)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 95230990
N-[(1-methylpyrrolidin-3-yl)methyl]-4-(propylamino)benzamide
CID 62180024
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 62682426
4-bromo-3-hydroxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 103872705

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide (CID 62160287) is 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is CN1CCC(CNC(=O)c2ccc(N)nc2)C1.
What is the InChIKey of 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
The InChIKey is PNYNNPJTQZMYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-16-5-4-9(8-16)6-15-12(17)10-2-3-11(13)14-7-10/h2-3,7,9H,4-6,8H2,1H3,(H2,13,14)(H,15,17).
What are the key properties of 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide?
6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1-methylpyrrolidin-3-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 62160287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).