N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C23H21ClFN5O2 — CID 20598004

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(F)cc1NC(=O)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C23H21ClFN5O2/c24-16-1-4-21(27-14-16)29-23(32)19-3-2-17(25)13-20(19)28-22(31)15-7-11-30(12-8-15)18-5-9-26-10-6-18/h1-6,9-10,13-15H,7-8,11-12H2,(H,28,31)(H,27,29,32)
InChIKeyOAXCTVPKHDBWDQ-UHFFFAOYSA-N
MW453.91 g/mol
LogP4.38
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 20598004) has the molecular formula C23H21ClFN5O2 and a molecular weight of 453.91 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID20598004
Molecular FormulaC23H21ClFN5O2
Molecular Weight453.91 g/mol
Exact Mass453.14
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)c1ccc(F)cc1NC(=O)C1CCN(c2ccncc2)CC1
InChIInChI=1S/C23H21ClFN5O2/c24-16-1-4-21(27-14-16)29-23(32)19-3-2-17(25)13-20(19)28-22(31)15-7-11-30(12-8-15)18-5-9-26-10-6-18/h1-6,9-10,13-15H,7-8,11-12H2,(H,28,31)(H,27,29,32)
InChIKeyOAXCTVPKHDBWDQ-UHFFFAOYSA-N
XLogP4.38
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.91
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 470668
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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 20598004) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)c1ccc(F)cc1NC(=O)C1CCN(c2ccncc2)CC1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is OAXCTVPKHDBWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN5O2/c24-16-1-4-21(27-14-16)29-23(32)19-3-2-17(25)13-20(19)28-22(31)15-7-11-30(12-8-15)18-5-9-26-10-6-18/h1-6,9-10,13-15H,7-8,11-12H2,(H,28,31)(H,27,29,32).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 453.91 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-fluorophenyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 20598004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).