N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide

C16H16ClN3O2 — CID 2988862

IUPACN-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-14-6-4-12(5-7-14)15(21)19-9-2-10-20-16(22)13-3-1-8-18-11-13/h1,3-8,11H,2,9-10H2,(H,19,21)(H,20,22)
InChIKeyVYNPDYRMPWNSQK-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.28
Rot. Bonds6

About N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide

N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide (PubChem CID 2988862) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide
PubChem CID2988862
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide
SMILESO=C(NCCCNC(=O)c1cccnc1)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClN3O2/c17-14-6-4-12(5-7-14)15(21)19-9-2-10-20-16(22)13-3-1-8-18-11-13/h1,3-8,11H,2,9-10H2,(H,19,21)(H,20,22)
InChIKeyVYNPDYRMPWNSQK-UHFFFAOYSA-N
XLogP2.28
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide (CID 2988862) is N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide is O=C(NCCCNC(=O)c1cccnc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide?
The InChIKey is VYNPDYRMPWNSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-14-6-4-12(5-7-14)15(21)19-9-2-10-20-16(22)13-3-1-8-18-11-13/h1,3-8,11H,2,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide?
N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-chlorobenzoyl)amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 2988862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).