6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

C12H19N5O — CID 58772630

IUPAC6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCN2CCNCC2)cn1
InChIInChI=1S/C12H19N5O/c13-11-2-1-10(9-16-11)12(18)15-5-8-17-6-3-14-4-7-17/h1-2,9,14H,3-8H2,(H2,13,16)(H,15,18)
InChIKeyFDTCXALUQIXDSF-UHFFFAOYSA-N
MW249.32 g/mol
LogP-0.70
Rot. Bonds4

About 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide

6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (PubChem CID 58772630) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
PubChem CID58772630
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCN2CCNCC2)cn1
InChIInChI=1S/C12H19N5O/c13-11-2-1-10(9-16-11)12(18)15-5-8-17-6-3-14-4-7-17/h1-2,9,14H,3-8H2,(H2,13,16)(H,15,18)
InChIKeyFDTCXALUQIXDSF-UHFFFAOYSA-N
XLogP-0.70
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 43600318
6-amino-N-[3-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 70906155
4-fluoro-N-(2-piperazin-1-ylethyl)benzamide
CID 10753244
6-(dimethylamino)-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 119392462
N-(3-piperazin-1-ylpropyl)-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119393326
N-(2-piperazin-1-ylethyl)quinoline-6-carboxamide
CID 62875225
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
4-(methylaminomethyl)-N-(2-piperazin-1-ylethyl)benzamide
CID 90338095
5-(2-pyrrolidin-1-ylethylcarbamoyl)pyridine-2-carboxylic acid
CID 60725088
3-bromo-4-methyl-N-(2-piperazin-1-ylethyl)benzamide
CID 81471524
3-methyl-N-(2-piperazin-1-ylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119446105
3-hydroxy-N-(2-piperazin-1-ylethyl)benzamide
CID 43600333

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide (CID 58772630) is 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is Nc1ccc(C(=O)NCCN2CCNCC2)cn1.
What is the InChIKey of 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
The InChIKey is FDTCXALUQIXDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-11-2-1-10(9-16-11)12(18)15-5-8-17-6-3-14-4-7-17/h1-2,9,14H,3-8H2,(H2,13,16)(H,15,18).
What are the key properties of 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide?
6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide has a molecular weight of 249.32 g/mol, XLogP of -0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 58772630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).