N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide

C20H20N4O2 — CID 108926632

IUPACN-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cccnc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(16-6-8-18(9-7-16)24-13-1-2-14-24)22-11-4-12-23-20(26)17-5-3-10-21-15-17/h1-3,5-10,13-15H,4,11-12H2,(H,22,25)(H,23,26)
InChIKeyNLWJBSYAPPABCZ-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.42
Rot. Bonds7

About N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide

N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 108926632) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
PubChem CID108926632
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cccnc1)c1ccc(-n2cccc2)cc1
InChIInChI=1S/C20H20N4O2/c25-19(16-6-8-18(9-7-16)24-13-1-2-14-24)22-11-4-12-23-20(26)17-5-3-10-21-15-17/h1-3,5-10,13-15H,4,11-12H2,(H,22,25)(H,23,26)
InChIKeyNLWJBSYAPPABCZ-UHFFFAOYSA-N
XLogP2.42
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[2-[(4-pyrrol-1-ylbenzoyl)amino]ethyl]pyridine-4-carboxamide
CID 108542296
N-(3-pyrrol-1-ylpropyl)pyridine-3-carboxamide
CID 90500651
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-(4-pyridin-3-ylbutyl)pyridine-3-carboxamide
CID 110661295
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-propyl-4-pyrrol-1-ylbenzamide
CID 24536436
N-(5-iodopentyl)pyridine-3-carboxamide
CID 107322434
N-octadecylpyridine-3-carboxamide
CID 3547337
4-(pyridine-3-carbonylamino)butanoate
CID 4586549
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide (CID 108926632) is N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide is O=C(NCCCNC(=O)c1cccnc1)c1ccc(-n2cccc2)cc1.
What is the InChIKey of N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is NLWJBSYAPPABCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c25-19(16-6-8-18(9-7-16)24-13-1-2-14-24)22-11-4-12-23-20(26)17-5-3-10-21-15-17/h1-3,5-10,13-15H,4,11-12H2,(H,22,25)(H,23,26).
What are the key properties of N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide?
N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 108926632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).