N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride

C18H22Cl2N4O2 — CID 119381577

IUPACN-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1
InChIInChI=1S/C18H20N4O2.2ClH/c19-15-6-3-9-22(12-15)18(24)13-4-1-7-16(10-13)21-17(23)14-5-2-8-20-11-14;;/h1-2,4-5,7-8,10-11,15H,3,6,9,12,19H2,(H,21,23);2*1H
InChIKeyQTXHOWJWIGVMTF-UHFFFAOYSA-N
MW397.31 g/mol
LogP2.74
Rot. Bonds3

About N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride

N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride (PubChem CID 119381577) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
PubChem CID119381577
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC NameN-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC1CCCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1
InChIInChI=1S/C18H20N4O2.2ClH/c19-15-6-3-9-22(12-15)18(24)13-4-1-7-16(10-13)21-17(23)14-5-2-8-20-11-14;;/h1-2,4-5,7-8,10-11,15H,3,6,9,12,19H2,(H,21,23);2*1H
InChIKeyQTXHOWJWIGVMTF-UHFFFAOYSA-N
XLogP2.74
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[4-(azepane-1-carbonyl)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55633554
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 119381021
(3aS,6aR)-2-[3-(pyridine-3-carbonylamino)benzoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 120683411
(3-aminopiperidin-1-yl)-(3-bromophenyl)methanone;hydrochloride
CID 119377080
N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
N-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 120809661
N-[3-(3,9-diazaspiro[5.5]undecane-3-carbonyl)phenyl]pyridine-3-carboxamide;hydrochloride
CID 119047654
N-[3-(cyclopropanecarbonyl)phenyl]pyridine-3-carboxamide
CID 82122759
N-[2-(3-aminopiperidine-1-carbonyl)-6-methylphenyl]pyridine-4-carboxamide;dihydrochloride
CID 119378723
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
N-[3-[4-(benzenesulfonamido)piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 55634720
3-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]phenyl]-1,1-dimethylurea;hydrochloride
CID 119412176

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride (CID 119381577) is N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC1CCCN(C(=O)c2cccc(NC(=O)c3cccnc3)c2)C1.
What is the InChIKey of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is QTXHOWJWIGVMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2.2ClH/c19-15-6-3-9-22(12-15)18(24)13-4-1-7-16(10-13)21-17(23)14-5-2-8-20-11-14;;/h1-2,4-5,7-8,10-11,15H,3,6,9,12,19H2,(H,21,23);2*1H.
What are the key properties of N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride?
N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 397.31 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119381577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).