5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide

C20H16F2N4O2 — CID 122180067

IUPAC5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)cn1
InChIInChI=1S/C20H16F2N4O2/c1-23-19(27)18-9-4-13(11-24-18)12-2-5-14(6-3-12)25-20(28)26-15-7-8-16(21)17(22)10-15/h2-11H,1H3,(H,23,27)(H2,25,26,28)
InChIKeyBOVUIWPJPWHRHQ-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.03
Rot. Bonds4

About 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide

5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide (PubChem CID 122180067) has the molecular formula C20H16F2N4O2 and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
PubChem CID122180067
Molecular FormulaC20H16F2N4O2
Molecular Weight382.37 g/mol
Exact Mass382.12
IUPAC Name5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)cn1
InChIInChI=1S/C20H16F2N4O2/c1-23-19(27)18-9-4-13(11-24-18)12-2-5-14(6-3-12)25-20(28)26-15-7-8-16(21)17(22)10-15/h2-11H,1H3,(H,23,27)(H2,25,26,28)
InChIKeyBOVUIWPJPWHRHQ-UHFFFAOYSA-N
XLogP4.03
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide (CID 122180067) is 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide is CNC(=O)c1ccc(-c2ccc(NC(=O)Nc3ccc(F)c(F)c3)cc2)cn1.
What is the InChIKey of 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
The InChIKey is BOVUIWPJPWHRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O2/c1-23-19(27)18-9-4-13(11-24-18)12-2-5-14(6-3-12)25-20(28)26-15-7-8-16(21)17(22)10-15/h2-11H,1H3,(H,23,27)(H2,25,26,28).
What are the key properties of 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide?
5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide has a molecular weight of 382.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3,4-difluorophenyl)carbamoylamino]phenyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122180067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).