1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide

C13H18N4O2 — CID 63724885

IUPAC1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide
SMILESNCc1ccc(C(=O)N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C13H18N4O2/c14-6-9-3-4-11(16-7-9)13(19)17-5-1-2-10(8-17)12(15)18/h3-4,7,10H,1-2,5-6,8,14H2,(H2,15,18)
InChIKeyPXARTKNJUYSTRN-UHFFFAOYSA-N
MW262.31 g/mol
LogP-0.12
Rot. Bonds3

About 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide

1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide (PubChem CID 63724885) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide
PubChem CID63724885
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide
SMILESNCc1ccc(C(=O)N2CCCC(C(N)=O)C2)nc1
InChIInChI=1S/C13H18N4O2/c14-6-9-3-4-11(16-7-9)13(19)17-5-1-2-10(8-17)12(15)18/h3-4,7,10H,1-2,5-6,8,14H2,(H2,15,18)
InChIKeyPXARTKNJUYSTRN-UHFFFAOYSA-N
XLogP-0.12
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)-2-pyridinyl]-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63724060
[5-(aminomethyl)-2-pyridinyl]-morpholin-4-ylmethanone
CID 63723014
1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidine-3-carboxamide
CID 78784806
[5-(aminomethyl)-2-pyridinyl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 63724908
[5-(aminomethyl)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 63722502
1-[4-(aminomethyl)benzoyl]piperidine-3-carboxylic acid
CID 61157537
(3S)-1-[2-[(4-fluorophenyl)methyl]-1,3-thiazole-5-carbonyl]piperidine-3-carboxamide
CID 95167865
1-[4-(aminomethyl)phenyl]piperidine-3-carboxamide
CID 43188147
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62959741
[5-(aminomethyl)-2-pyridinyl]-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 63723390
[3-(aminomethyl)piperidin-1-yl]-(5-chloro-2-pyridinyl)methanone;dihydrochloride
CID 119464950
(5-amino-2-pyridinyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107211702

Frequently Asked Questions

What is the IUPAC name of 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide (CID 63724885) is 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide is NCc1ccc(C(=O)N2CCCC(C(N)=O)C2)nc1.
What is the InChIKey of 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide?
The InChIKey is PXARTKNJUYSTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-6-9-3-4-11(16-7-9)13(19)17-5-1-2-10(8-17)12(15)18/h3-4,7,10H,1-2,5-6,8,14H2,(H2,15,18).
What are the key properties of 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide?
1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(aminomethyl)pyridine-2-carbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 63724885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).