4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide

C18H19N5O2 — CID 18382168

IUPAC4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C18H19N5O2/c19-16(20)13-3-5-14(6-4-13)17(24)22-8-10-23(11-9-22)18(25)15-2-1-7-21-12-15/h1-7,12H,8-11H2,(H3,19,20)
InChIKeyCTEHRUIXACWJLJ-UHFFFAOYSA-N
MW337.38 g/mol
LogP0.96
Rot. Bonds3

About 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide

4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide (PubChem CID 18382168) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
PubChem CID18382168
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C18H19N5O2/c19-16(20)13-3-5-14(6-4-13)17(24)22-8-10-23(11-9-22)18(25)15-2-1-7-21-12-15/h1-7,12H,8-11H2,(H3,19,20)
InChIKeyCTEHRUIXACWJLJ-UHFFFAOYSA-N
XLogP0.96
TPSA103.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-(4-pyridin-3-ylbenzoyl)piperidin-4-yl]benzenecarboximidamide
CID 67195128
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(3,4-dichlorophenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 39565978
3-[4-(pyridine-3-carbonyl)piperazin-1-yl]propanamide
CID 826549
[4-(hydroxymethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 71063622
(4-methoxyphenyl)-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110798519
N-propan-2-yl-4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzamide
CID 136519238
(4-propan-2-ylsulfanylphenyl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 110802950
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 108533126
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
3-[4-(5-pyridin-3-ylthiophene-2-carbonyl)piperazin-1-yl]benzenecarboximidamide
CID 10222064

Frequently Asked Questions

What is the IUPAC name of 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide?
The IUPAC name of 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide (CID 18382168) is 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide.
What is the SMILES notation for 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide?
The canonical SMILES for 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(=O)N2CCN(C(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide?
The InChIKey is CTEHRUIXACWJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-16(20)13-3-5-14(6-4-13)17(24)22-8-10-23(11-9-22)18(25)15-2-1-7-21-12-15/h1-7,12H,8-11H2,(H3,19,20).
What are the key properties of 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide?
4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide has a molecular weight of 337.38 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]benzenecarboximidamide is sourced from PubChem (CID 18382168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).