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

C23H23ClFN5O — CID 67043296

IUPAC(3S)-N-[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)[C@H]1CCCNC1
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)/t16-/m0/s1
InChIKeyZYEWSDNAWIOGBW-INIZCTEOSA-N
MW439.92 g/mol
LogP4.49
Rot. Bonds6

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

(3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 67043296) has the molecular formula C23H23ClFN5O and a molecular weight of 439.92 g/mol. Its IUPAC name is (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID67043296
Molecular FormulaC23H23ClFN5O
Molecular Weight439.92 g/mol
Exact Mass439.16
IUPAC Name(3S)-N-[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)[C@H]1CCCNC1
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)/t16-/m0/s1
InChIKeyZYEWSDNAWIOGBW-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide (CID 67043296) is (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-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)[C@H]1CCCNC1.
What is the InChIKey of (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ZYEWSDNAWIOGBW-INIZCTEOSA-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)/t16-/m0/s1.
What are the key properties of (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide?
(3S)-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 (3S)-N-[5-chloro-4-[6-[(3-fluorophenyl)methylamino]-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 67043296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).