6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide

C16H19N5O — CID 163578715

IUPAC6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCN(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C16H19N5O/c17-12-4-6-13(7-5-12)20-8-10-21(11-9-20)15-3-1-2-14(19-15)16(18)22/h1-7H,8-11,17H2,(H2,18,22)
InChIKeyGFSNELDQCWSUKW-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.09
Rot. Bonds3

About 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide

6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 163578715) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
PubChem CID163578715
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cccc(N2CCN(c3ccc(N)cc3)CC2)n1
InChIInChI=1S/C16H19N5O/c17-12-4-6-13(7-5-12)20-8-10-21(11-9-20)15-3-1-2-14(19-15)16(18)22/h1-7H,8-11,17H2,(H2,18,22)
InChIKeyGFSNELDQCWSUKW-UHFFFAOYSA-N
XLogP1.09
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[4-(4-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173099499
6-(azepan-1-yl)pyridine-2-carboxamide
CID 173077887
6-[4-(4-sulfamoylphenyl)piperazin-1-yl]pyridine-2-carboxylic acid
CID 122053018
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
6-[4-(cyclohexanecarbonyl)piperazin-1-yl]pyridine-2-carboxamide
CID 173079104
4-[4-[6-(2-methylpropyl)-2-pyridinyl]piperazin-1-yl]aniline
CID 90905369
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
(6-morpholin-4-yl-2-pyridinyl)-(4-phenylpiperazin-1-yl)methanone
CID 84574001
6-[(3S)-3-methylpiperazin-1-yl]pyridine-2-carboxamide
CID 104977483
6-[4-(pyridin-4-ylmethyl)-1,4-diazepan-1-yl]pyridine-2-carboxamide
CID 173077858
6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
1-(6-carbamoyl-2-pyridinyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64587765

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide (CID 163578715) is 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide is NC(=O)c1cccc(N2CCN(c3ccc(N)cc3)CC2)n1.
What is the InChIKey of 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is GFSNELDQCWSUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-12-4-6-13(7-5-12)20-8-10-21(11-9-20)15-3-1-2-14(19-15)16(18)22/h1-7H,8-11,17H2,(H2,18,22).
What are the key properties of 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide?
6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-aminophenyl)piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 163578715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).