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

C12H18N4O — CID 113391868

IUPACN-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ncccc2N)C1
InChIInChI=1S/C12H18N4O/c1-9-4-3-7-16(8-9)12(17)15-11-10(13)5-2-6-14-11/h2,5-6,9H,3-4,7-8,13H2,1H3,(H,14,15,17)
InChIKeyAIAVJGGUYBTAQI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.93
Rot. Bonds1

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

N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide (PubChem CID 113391868) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
PubChem CID113391868
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2ncccc2N)C1
InChIInChI=1S/C12H18N4O/c1-9-4-3-7-16(8-9)12(17)15-11-10(13)5-2-6-14-11/h2,5-6,9H,3-4,7-8,13H2,1H3,(H,14,15,17)
InChIKeyAIAVJGGUYBTAQI-UHFFFAOYSA-N
XLogP1.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-hydrazinyl-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 62249185
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
[2-(methylamino)-3-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 62172050
N-(3-amino-2,6-dimethylphenyl)-3-methylpiperidine-1-carboxamide
CID 79152846
3-methyl-N-[(3-methyl-2-pyridinyl)methyl]piperidine-1-carboxamide
CID 113232203
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
N-(3-chloro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 103886210
(2-fluoro-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 107358404
2-(piperidine-1-carbonylamino)pyridine-3-carboxylic acid
CID 79155083
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(3-methylpiperidin-1-yl)-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 84576155
[(4R)-4-methylazepan-1-yl]-[2-(propan-2-ylamino)-3-pyridinyl]methanone
CID 96502046

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide (CID 113391868) is N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2ncccc2N)C1.
What is the InChIKey of N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is AIAVJGGUYBTAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-4-3-7-16(8-9)12(17)15-11-10(13)5-2-6-14-11/h2,5-6,9H,3-4,7-8,13H2,1H3,(H,14,15,17).
What are the key properties of N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide?
N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-pyridinyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 113391868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).