N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

C23H23ClFN5O — CID 50991580

IUPACN-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C23H23ClFN5O/c24-19-14-28-22(30-23(31)16-5-3-9-26-13-16)11-18(19)20-7-2-8-21(29-20)27-12-15-4-1-6-17(25)10-15/h1-2,4,6-8,10-11,14,16,26H,3,5,9,12-13H2,(H,27,29)(H,28,30,31)
InChIKeyZYEWSDNAWIOGBW-UHFFFAOYSA-N
MW439.92 g/mol
LogP4.49
Rot. Bonds6

About N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 50991580) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID50991580
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC NameN-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1)C1CCCNC1
InChIInChI=1S/C23H23ClFN5O/c24-19-14-28-22(30-23(31)16-5-3-9-26-13-16)11-18(19)20-7-2-8-21(29-20)27-12-15-4-1-6-17(25)10-15/h1-2,4,6-8,10-11,14,16,26H,3,5,9,12-13H2,(H,27,29)(H,28,30,31)
InChIKeyZYEWSDNAWIOGBW-UHFFFAOYSA-N
XLogP4.49
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.92
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Las-101057
CID 16071896
N-[6-(2-fluorophenyl)-5-pyridin-4-ylpyrazin-2-yl]cyclopropanecarboxamide
CID 16071901
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
US10251893, Cpd 51
CID 46926891
Cdk9-IN-2
CID 49855228
n-[6-(2-Fluorophenyl)-5-(3-fluoropyridin-4-yl)pyrazin-2-yl]cyclopropane-carboxamide
CID 53324032
(3R)-N-[5-chloro-4-[5-fluoro-6-(oxan-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67222084
Pyrazine-Pyridine Biheteroaryl 62
CID 5330393
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(6-chloro-3-(2-(5-chloropyridin-2-yl)-2,2-difluoroethylamino)-2-fluorophenyl)acetamide
CID 24779756
1-(5-(4-Chlorophenyl)-6-(2-chloropyridin-4-yl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576685
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (CID 50991580) is N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is O=C(Nc1cc(-c2cccc(NCc3cccc(F)c3)n2)c(Cl)cn1)C1CCCNC1.
What is the InChIKey of N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ZYEWSDNAWIOGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN5O/c24-19-14-28-22(30-23(31)16-5-3-9-26-13-16)11-18(19)20-7-2-8-21(29-20)27-12-15-4-1-6-17(25)10-15/h1-2,4,6-8,10-11,14,16,26H,3,5,9,12-13H2,(H,27,29)(H,28,30,31).
What are the key properties of N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 439.92 g/mol, XLogP of 4.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 50991580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).