4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

C20H15FN4O — CID 109211244

IUPAC4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(Nc2ccnc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C20H15FN4O/c21-18-4-2-1-3-15(18)13-24-20(26)19-11-17(9-10-23-19)25-16-7-5-14(12-22)6-8-16/h1-11H,13H2,(H,23,25)(H,24,26)
InChIKeyDYHHJZOUOIPJSR-UHFFFAOYSA-N
MW346.37 g/mol
LogP3.77
Rot. Bonds5

About 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide

4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109211244) has the molecular formula C20H15FN4O and a molecular weight of 346.37 g/mol. Its IUPAC name is 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109211244
Molecular FormulaC20H15FN4O
Molecular Weight346.37 g/mol
Exact Mass346.12
IUPAC Name4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESN#Cc1ccc(Nc2ccnc(C(=O)NCc3ccccc3F)c2)cc1
InChIInChI=1S/C20H15FN4O/c21-18-4-2-1-3-15(18)13-24-20(26)19-11-17(9-10-23-19)25-16-7-5-14(12-22)6-8-16/h1-11H,13H2,(H,23,25)(H,24,26)
InChIKeyDYHHJZOUOIPJSR-UHFFFAOYSA-N
XLogP3.77
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-cyanoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109212035
4-(4-ethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211207
N-[(2-fluorophenyl)methyl]-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109211205
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
4-anilino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109218921
4-(4-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109217376
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
4-cyano-N-[(2-fluorophenyl)methyl]benzamide
CID 4798282
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
4-(4-ethylanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109213974
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109211244) is 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is N#Cc1ccc(Nc2ccnc(C(=O)NCc3ccccc3F)c2)cc1.
What is the InChIKey of 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is DYHHJZOUOIPJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O/c21-18-4-2-1-3-15(18)13-24-20(26)19-11-17(9-10-23-19)25-16-7-5-14(12-22)6-8-16/h1-11H,13H2,(H,23,25)(H,24,26).
What are the key properties of 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 346.37 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanoanilino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109211244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).