5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride

C13H19ClN4O2 — CID 119493800

IUPAC5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(C(N)=O)nc2)C1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-15-10-3-2-6-17(8-10)13(19)9-4-5-11(12(14)18)16-7-9;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,14,18);1H
InChIKeyOJNPGQQKUBBJIO-UHFFFAOYSA-N
MW298.77 g/mol
LogP0.43
Rot. Bonds3

About 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride

5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride (PubChem CID 119493800) has the molecular formula C13H19ClN4O2 and a molecular weight of 298.77 g/mol. Its IUPAC name is 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
PubChem CID119493800
Molecular FormulaC13H19ClN4O2
Molecular Weight298.77 g/mol
Exact Mass298.12
IUPAC Name5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride
SMILESCNC1CCCN(C(=O)c2ccc(C(N)=O)nc2)C1.Cl
InChIInChI=1S/C13H18N4O2.ClH/c1-15-10-3-2-6-17(8-10)13(19)9-4-5-11(12(14)18)16-7-9;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,14,18);1H
InChIKeyOJNPGQQKUBBJIO-UHFFFAOYSA-N
XLogP0.43
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
[4-(aminomethyl)phenyl]-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 171357957
[3-(methylamino)pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone;dihydrochloride
CID 119413830
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
5-[3-(methylcarbamoyl)piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 103197596
[3-(methylamino)piperidin-1-yl]-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methanone
CID 119490982
(4-cyclohexylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119487583
4-[3-(methylamino)piperidine-1-carbonyl]benzonitrile
CID 62534463
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
N-[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119493216
[(3R)-3-(methylamino)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 124587818

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride?
The IUPAC name of 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride (CID 119493800) is 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride.
What is the SMILES notation for 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride?
The canonical SMILES for 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride is CNC1CCCN(C(=O)c2ccc(C(N)=O)nc2)C1.Cl.
What is the InChIKey of 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride?
The InChIKey is OJNPGQQKUBBJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2.ClH/c1-15-10-3-2-6-17(8-10)13(19)9-4-5-11(12(14)18)16-7-9;/h4-5,7,10,15H,2-3,6,8H2,1H3,(H2,14,18);1H.
What are the key properties of 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride?
5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride has a molecular weight of 298.77 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)piperidine-1-carbonyl]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119493800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).