2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide

C14H13N3O2 — CID 91011243

IUPAC2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(-c2cc(C(N)=O)ccn2)c1
InChIInChI=1S/C14H13N3O2/c1-16-14(19)11-4-2-3-9(7-11)12-8-10(13(15)18)5-6-17-12/h2-8H,1H3,(H2,15,18)(H,16,19)
InChIKeyPAFGMQDNVPYFDT-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.21
Rot. Bonds3

About 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide

2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (PubChem CID 91011243) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
PubChem CID91011243
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide
SMILESCNC(=O)c1cccc(-c2cc(C(N)=O)ccn2)c1
InChIInChI=1S/C14H13N3O2/c1-16-14(19)11-4-2-3-9(7-11)12-8-10(13(15)18)5-6-17-12/h2-8H,1H3,(H2,15,18)(H,16,19)
InChIKeyPAFGMQDNVPYFDT-UHFFFAOYSA-N
XLogP1.21
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide (CID 91011243) is 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is CNC(=O)c1cccc(-c2cc(C(N)=O)ccn2)c1.
What is the InChIKey of 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
The InChIKey is PAFGMQDNVPYFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-16-14(19)11-4-2-3-9(7-11)12-8-10(13(15)18)5-6-17-12/h2-8H,1H3,(H2,15,18)(H,16,19).
What are the key properties of 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide?
2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide has a molecular weight of 255.28 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylcarbamoyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 91011243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).