N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide

C19H19N5O2 — CID 122190960

IUPACN-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccncc1
InChIInChI=1S/C19H19N5O2/c25-18(15-7-11-20-12-8-15)21-9-4-10-22-19(26)17-13-16(23-24-17)14-5-2-1-3-6-14/h1-3,5-8,11-13H,4,9-10H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyWHFCLANBKYQUTD-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.02
Rot. Bonds7

About N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide

N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide (PubChem CID 122190960) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide
PubChem CID122190960
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide
SMILESO=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccncc1
InChIInChI=1S/C19H19N5O2/c25-18(15-7-11-20-12-8-15)21-9-4-10-22-19(26)17-13-16(23-24-17)14-5-2-1-3-6-14/h1-3,5-8,11-13H,4,9-10H2,(H,21,25)(H,22,26)(H,23,24)
InChIKeyWHFCLANBKYQUTD-UHFFFAOYSA-N
XLogP2.02
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide (CID 122190960) is N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide is O=C(NCCCNC(=O)c1cc(-c2ccccc2)n[nH]1)c1ccncc1.
What is the InChIKey of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide?
The InChIKey is WHFCLANBKYQUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(15-7-11-20-12-8-15)21-9-4-10-22-19(26)17-13-16(23-24-17)14-5-2-1-3-6-14/h1-3,5-8,11-13H,4,9-10H2,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide?
N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-4-carboxamide is sourced from PubChem (CID 122190960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).