5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

C20H18FN3O — CID 109232288

IUPAC5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H18FN3O/c1-14-3-2-4-15(9-14)11-23-20(25)16-10-19(13-22-12-16)24-18-7-5-17(21)6-8-18/h2-10,12-13,24H,11H2,1H3,(H,23,25)
InChIKeySPZWQWBXVCMLDS-UHFFFAOYSA-N
MW335.38 g/mol
LogP4.20
Rot. Bonds5

About 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide

5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (PubChem CID 109232288) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
PubChem CID109232288
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(Nc3ccc(F)cc3)c2)c1
InChIInChI=1S/C20H18FN3O/c1-14-3-2-4-15(9-14)11-23-20(25)16-10-19(13-22-12-16)24-18-7-5-17(21)6-8-18/h2-10,12-13,24H,11H2,1H3,(H,23,25)
InChIKeySPZWQWBXVCMLDS-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 53020754
methyl 3-[[5-[(3-methylphenyl)methylcarbamoyl]-3-pyridinyl]amino]benzoate
CID 109232319
N-benzyl-5-(4-methylanilino)pyridine-3-carboxamide
CID 109231691
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216
5-(3-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109235533
N-[(3-methylphenyl)methyl]-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109232282
N-[(3-methylphenyl)methyl]-5-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109232306
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
N-(2,6-dimethylphenyl)-5-(4-fluoroanilino)pyridine-3-carboxamide
CID 109243122
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
2-[(4-fluorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109255808

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide (CID 109232288) is 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is Cc1cccc(CNC(=O)c2cncc(Nc3ccc(F)cc3)c2)c1.
What is the InChIKey of 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is SPZWQWBXVCMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-14-3-2-4-15(9-14)11-23-20(25)16-10-19(13-22-12-16)24-18-7-5-17(21)6-8-18/h2-10,12-13,24H,11H2,1H3,(H,23,25).
What are the key properties of 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide?
5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 109232288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).