N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide

C20H16FN3O2 — CID 71918325

IUPACN-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccncc1
InChIInChI=1S/C20H16FN3O2/c21-17-5-7-18(8-6-17)24-20(26)15-3-1-14(2-4-15)13-23-19(25)16-9-11-22-12-10-16/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyRVWAVLZHJJNPNN-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.40
Rot. Bonds5

About N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide

N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 71918325) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
PubChem CID71918325
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC NameN-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccncc1
InChIInChI=1S/C20H16FN3O2/c21-17-5-7-18(8-6-17)24-20(26)15-3-1-14(2-4-15)13-23-19(25)16-9-11-22-12-10-16/h1-12H,13H2,(H,23,25)(H,24,26)
InChIKeyRVWAVLZHJJNPNN-UHFFFAOYSA-N
XLogP3.40
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
4-N-(4-fluorophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047677
4-N-(4-methylphenyl)-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047754
N-[2-(4-fluorophenyl)ethyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231083
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
N-[(3,5-difluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778558
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
5-N-(3,4-difluorophenyl)-3-N-[(4-fluorophenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105648
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
4-(4-fluorophenyl)-N-pyridin-4-ylbenzamide
CID 135137810

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide (CID 71918325) is N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1)c1ccncc1.
What is the InChIKey of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is RVWAVLZHJJNPNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c21-17-5-7-18(8-6-17)24-20(26)15-3-1-14(2-4-15)13-23-19(25)16-9-11-22-12-10-16/h1-12H,13H2,(H,23,25)(H,24,26).
What are the key properties of N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide?
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 71918325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).