5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide

C14H20N4O2 — CID 124592813

IUPAC5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
SMILESC[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)[C@H]1CN
InChIInChI=1S/C14H20N4O2/c1-9-3-2-6-18(12(9)7-15)14(20)10-4-5-11(13(16)19)17-8-10/h4-5,8-9,12H,2-3,6-7,15H2,1H3,(H2,16,19)/t9-,12+/m1/s1
InChIKeySJQODZLRMVMNHS-SKDRFNHKSA-N
MW276.34 g/mol
LogP0.38
Rot. Bonds3

About 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide

5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide (PubChem CID 124592813) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
PubChem CID124592813
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
SMILESC[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)[C@H]1CN
InChIInChI=1S/C14H20N4O2/c1-9-3-2-6-18(12(9)7-15)14(20)10-4-5-11(13(16)19)17-8-10/h4-5,8-9,12H,2-3,6-7,15H2,1H3,(H2,16,19)/t9-,12+/m1/s1
InChIKeySJQODZLRMVMNHS-SKDRFNHKSA-N
XLogP0.38
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
CID 124696949
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
[2-(aminomethyl)-3-methylpiperidin-1-yl]-quinoxalin-2-ylmethanone
CID 103807129
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
6-(2,3-dimethylpiperidine-1-carbonyl)pyridine-3-carbothioamide
CID 63748326
N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119597061

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide?
The IUPAC name of 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide (CID 124592813) is 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide is C[C@@H]1CCCN(C(=O)c2ccc(C(N)=O)nc2)[C@H]1CN.
What is the InChIKey of 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide?
The InChIKey is SJQODZLRMVMNHS-SKDRFNHKSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-3-2-6-18(12(9)7-15)14(20)10-4-5-11(13(16)19)17-8-10/h4-5,8-9,12H,2-3,6-7,15H2,1H3,(H2,16,19)/t9-,12+/m1/s1.
What are the key properties of 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide?
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide is sourced from PubChem (CID 124592813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).