N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide

C22H22FN3O — CID 109211160

IUPACN-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C22H22FN3O/c23-20-11-5-4-10-18(20)16-26-22(27)21-15-19(12-14-25-21)24-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,24,25)(H,26,27)
InChIKeyFUTGZWNEVBHNAX-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.20
Rot. Bonds8

About N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide

N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109211160) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109211160
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC NameN-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(NCCCc2ccccc2)ccn1
InChIInChI=1S/C22H22FN3O/c23-20-11-5-4-10-18(20)16-26-22(27)21-15-19(12-14-25-21)24-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,24,25)(H,26,27)
InChIKeyFUTGZWNEVBHNAX-UHFFFAOYSA-N
XLogP4.20
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(benzylamino)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109209769
4-N-[(2-fluorophenyl)methyl]-2-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109086345
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
N-[(2-fluorophenyl)methyl]-4-hydrazinylpyridine-2-carboxamide
CID 62247959
N-[(4-methoxyphenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109212162
N-[(4-chlorophenyl)methyl]-4-[2-(2-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109211790
N-[2-(2-fluorophenyl)ethyl]-4-(pentylamino)pyridine-2-carboxamide
CID 109213953
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213527
4-(methylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 62181098
4-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109216627

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109211160) is N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide is O=C(NCc1ccccc1F)c1cc(NCCCc2ccccc2)ccn1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is FUTGZWNEVBHNAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-20-11-5-4-10-18(20)16-26-22(27)21-15-19(12-14-25-21)24-13-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-12,14-15H,6,9,13,16H2,(H,24,25)(H,26,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide?
N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109211160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).