1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide

C12H18N4O — CID 54985518

IUPAC1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccncc1N
InChIInChI=1S/C12H18N4O/c1-14-12(17)11-4-2-3-7-16(11)10-5-6-15-8-9(10)13/h5-6,8,11H,2-4,7,13H2,1H3,(H,14,17)
InChIKeyKMNIASVNTVMIBJ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.77
Rot. Bonds2

About 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide

1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide (PubChem CID 54985518) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
PubChem CID54985518
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1ccncc1N
InChIInChI=1S/C12H18N4O/c1-14-12(17)11-4-2-3-7-16(11)10-5-6-15-8-9(10)13/h5-6,8,11H,2-4,7,13H2,1H3,(H,14,17)
InChIKeyKMNIASVNTVMIBJ-UHFFFAOYSA-N
XLogP0.77
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3-amino-4-pyridinyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 93173237
1-(8-aminoquinolin-4-yl)-N-methylpiperidine-2-carboxamide
CID 83065847
1-(3-amino-4-pyridinyl)piperidin-2-ol
CID 130114597
1-(2-amino-3-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 104540139
methyl 4-amino-3-[2-(methylcarbamoyl)piperidin-1-yl]benzoate
CID 82776524
4-(2-ethylpiperidin-1-yl)pyridin-3-amine
CID 43266305
1-(5-aminopyrazin-2-yl)-N-methylpiperidine-2-carboxamide
CID 80653622
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
3-amino-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 115934550
1-(2-amino-5-carbamoylphenyl)-N-methylpyrrolidine-2-carboxamide
CID 63356602
1-[2-amino-5-(methylcarbamoyl)phenyl]-N-methylpyrrolidine-2-carboxamide
CID 63357045
1-(2-amino-3-sulfamoylphenyl)-N-methylpiperidine-2-carboxamide
CID 115992520

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide (CID 54985518) is 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1ccncc1N.
What is the InChIKey of 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is KMNIASVNTVMIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-14-12(17)11-4-2-3-7-16(11)10-5-6-15-8-9(10)13/h5-6,8,11H,2-4,7,13H2,1H3,(H,14,17).
What are the key properties of 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide?
1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-pyridinyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 54985518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).