N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide

C20H18N4O2 — CID 36823885

IUPACN-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C20H18N4O2/c1-13-17(10-11-18(22-13)14-6-3-2-4-7-14)19(25)23-15-8-5-9-16(12-15)24-20(21)26/h2-12H,1H3,(H,23,25)(H3,21,24,26)
InChIKeyFXOIXIHKVUDYIO-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.80
Rot. Bonds4

About N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide

N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide (PubChem CID 36823885) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
PubChem CID36823885
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide
SMILESCc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(NC(N)=O)c1
InChIInChI=1S/C20H18N4O2/c1-13-17(10-11-18(22-13)14-6-3-2-4-7-14)19(25)23-15-8-5-9-16(12-15)24-20(21)26/h2-12H,1H3,(H,23,25)(H3,21,24,26)
InChIKeyFXOIXIHKVUDYIO-UHFFFAOYSA-N
XLogP3.80
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide (CID 36823885) is N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide is Cc1nc(-c2ccccc2)ccc1C(=O)Nc1cccc(NC(N)=O)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide?
The InChIKey is FXOIXIHKVUDYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-17(10-11-18(22-13)14-6-3-2-4-7-14)19(25)23-15-8-5-9-16(12-15)24-20(21)26/h2-12H,1H3,(H,23,25)(H3,21,24,26).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide?
N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-methyl-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 36823885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).