N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

C16H19N5O — CID 108897073

IUPACN-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N5O/c17-13-4-6-14(7-5-13)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12,17H2,(H,19,22)
InChIKeyCIGUPQOGCMIKAJ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.02
Rot. Bonds2

About N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide

N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 108897073) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID108897073
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESNc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C16H19N5O/c17-13-4-6-14(7-5-13)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12,17H2,(H,19,22)
InChIKeyCIGUPQOGCMIKAJ-UHFFFAOYSA-N
XLogP2.02
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
4-pyridin-2-yl-N-[4-[[4-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]phenyl]methyl]phenyl]piperazine-1-carboxamide
CID 4118042
4-pyridin-2-yl-N-pyridin-3-ylpiperazine-1-carboxamide
CID 18101774
N-(2,1,3-benzothiadiazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 778358
dimethyl 5-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]benzene-1,3-dicarboxylate
CID 3866296
N-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)phenyl]acetamide
CID 18166383
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985
4-pyridin-2-yl-N-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47148349
4-pyridin-2-yl-N-quinoxalino[3,2-f][1,10]phenanthrolin-11-ylpiperazine-1-carboxamide
CID 126341158
N-(1-methylbenzotriazol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 894053
N-(1,3-dioxo-2-propan-2-ylisoindol-5-yl)-4-pyridin-2-ylpiperazine-1-carboxamide
CID 108872350
N-(4-fluorophenyl)-2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 108512673

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide (CID 108897073) is N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is Nc1ccc(NC(=O)N2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is CIGUPQOGCMIKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-13-4-6-14(7-5-13)19-16(22)21-11-9-20(10-12-21)15-3-1-2-8-18-15/h1-8H,9-12,17H2,(H,19,22).
What are the key properties of N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide?
N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108897073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).