N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide

C16H16ClN3O2 — CID 893089

IUPACN-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C16H16ClN3O2/c1-2-4-15(21)19-12-6-7-13(17)14(9-12)20-16(22)11-5-3-8-18-10-11/h3,5-10H,2,4H2,1H3,(H,19,21)(H,20,22)
InChIKeyIDOFVKMMOPJDRL-UHFFFAOYSA-N
MW317.78 g/mol
LogP3.73
Rot. Bonds5

About N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide

N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide (PubChem CID 893089) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide
PubChem CID893089
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC NameN-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide
SMILESCCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1
InChIInChI=1S/C16H16ClN3O2/c1-2-4-15(21)19-12-6-7-13(17)14(9-12)20-16(22)11-5-3-8-18-10-11/h3,5-10H,2,4H2,1H3,(H,19,21)(H,20,22)
InChIKeyIDOFVKMMOPJDRL-UHFFFAOYSA-N
XLogP3.73
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide?
The IUPAC name of N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide (CID 893089) is N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide is CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1.
What is the InChIKey of N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide?
The InChIKey is IDOFVKMMOPJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c1-2-4-15(21)19-12-6-7-13(17)14(9-12)20-16(22)11-5-3-8-18-10-11/h3,5-10H,2,4H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide?
N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(butanoylamino)-2-chlorophenyl]pyridine-3-carboxamide is sourced from PubChem (CID 893089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).