N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide

C17H18ClN3O2 — CID 2987830

IUPACN-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C17H18ClN3O2/c18-15-6-4-13(5-7-15)11-16(22)20-9-2-10-21-17(23)14-3-1-8-19-12-14/h1,3-8,12H,2,9-11H2,(H,20,22)(H,21,23)
InChIKeyRSLIITLWFSFOQX-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.21
Rot. Bonds7

About N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide

N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide (PubChem CID 2987830) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide
PubChem CID2987830
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC NameN-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESO=C(Cc1ccc(Cl)cc1)NCCCNC(=O)c1cccnc1
InChIInChI=1S/C17H18ClN3O2/c18-15-6-4-13(5-7-15)11-16(22)20-9-2-10-21-17(23)14-3-1-8-19-12-14/h1,3-8,12H,2,9-11H2,(H,20,22)(H,21,23)
InChIKeyRSLIITLWFSFOQX-UHFFFAOYSA-N
XLogP2.21
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.21
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-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide (CID 2987830) is N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide is O=C(Cc1ccc(Cl)cc1)NCCCNC(=O)c1cccnc1.
What is the InChIKey of N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide?
The InChIKey is RSLIITLWFSFOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c18-15-6-4-13(5-7-15)11-16(22)20-9-2-10-21-17(23)14-3-1-8-19-12-14/h1,3-8,12H,2,9-11H2,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide?
N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-chlorophenyl)acetyl]amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 2987830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).