N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

C21H19ClFN3O — CID 109194918

IUPACN-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C21H19ClFN3O/c22-18-13-16(8-10-19(18)23)26-21(27)20-11-9-17(14-25-20)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14,24H,4,7,12H2,(H,26,27)
InChIKeyKYTBYUZQSWSKGM-UHFFFAOYSA-N
MW383.85 g/mol
LogP5.17
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (PubChem CID 109194918) has the molecular formula C21H19ClFN3O and a molecular weight of 383.85 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
PubChem CID109194918
Molecular FormulaC21H19ClFN3O
Molecular Weight383.85 g/mol
Exact Mass383.12
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1ccc(NCCCc2ccccc2)cn1
InChIInChI=1S/C21H19ClFN3O/c22-18-13-16(8-10-19(18)23)26-21(27)20-11-9-17(14-25-20)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14,24H,4,7,12H2,(H,26,27)
InChIKeyKYTBYUZQSWSKGM-UHFFFAOYSA-N
XLogP5.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.85
LogP ≤ 55.17
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

N-(3-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194940
N-(3-chloro-4-fluorophenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195858
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
5-anilino-N-(3-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 109197085
N-(3-chloro-4-fluorophenyl)-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189536
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
2-(benzylamino)-N-(3-chloro-4-fluorophenyl)pyrimidine-5-carboxamide
CID 109255462
N-(5-methyl-1,2-oxazol-3-yl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194952
5-(3-phenylpropylamino)-N-(2-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109194927
5-(pentylamino)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194843

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide (CID 109194918) is N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
The InChIKey is KYTBYUZQSWSKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN3O/c22-18-13-16(8-10-19(18)23)26-21(27)20-11-9-17(14-25-20)24-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,13-14,24H,4,7,12H2,(H,26,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide has a molecular weight of 383.85 g/mol, XLogP of 5.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109194918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).