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

C20H18FN3O — CID 109209769

IUPAC4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C20H18FN3O/c21-18-9-5-4-8-16(18)14-24-20(25)19-12-17(10-11-22-19)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,22,23)(H,24,25)
InChIKeyRLSLZKCTGXTANX-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.76
Rot. Bonds6

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

4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (PubChem CID 109209769) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
PubChem CID109209769
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(NCc2ccccc2)ccn1
InChIInChI=1S/C20H18FN3O/c21-18-9-5-4-8-16(18)14-24-20(25)19-12-17(10-11-22-19)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,22,23)(H,24,25)
InChIKeyRLSLZKCTGXTANX-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109211160
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
4-[(2-fluorophenyl)methylamino]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109205673
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-[2-(2-fluorophenyl)ethyl]-4-[(3-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109210289
N-[(2-methylphenyl)methyl]-4-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 109209919
N-benzyl-4-(ethylamino)pyridine-2-carboxamide
CID 55042680
N-(2-phenylethyl)-4-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109213383
N-[(2-fluorophenyl)methyl]-4-(oxolan-2-ylmethylamino)pyridine-2-carboxamide
CID 109206922
4-N-[(2-fluorophenyl)methyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086328
N-[2-(2-fluorophenyl)ethyl]-4-(pyridin-2-ylmethylamino)pyridine-2-carboxamide
CID 109212815
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345

Frequently Asked Questions

What is the IUPAC name of 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide (CID 109209769) is 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1ccccc1F)c1cc(NCc2ccccc2)ccn1.
What is the InChIKey of 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is RLSLZKCTGXTANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-18-9-5-4-8-16(18)14-24-20(25)19-12-17(10-11-22-19)23-13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,22,23)(H,24,25).
What are the key properties of 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide?
4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 109209769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).