5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide

C29H26FN5O2 — CID 56649998

IUPAC5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccnc2)cc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C29H26FN5O2/c30-25-8-3-21(4-9-25)20-34-14-16-35(17-15-34)29(37)24-7-12-27(32-19-24)28(36)33-26-10-5-22(6-11-26)23-2-1-13-31-18-23/h1-13,18-19H,14-17,20H2,(H,33,36)
InChIKeyJYDMJWGORFCYPJ-UHFFFAOYSA-N
MW495.56 g/mol
LogP4.49
Rot. Bonds6

About 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide

5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide (PubChem CID 56649998) has the molecular formula C29H26FN5O2 and a molecular weight of 495.56 g/mol. Its IUPAC name is 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide
PubChem CID56649998
Molecular FormulaC29H26FN5O2
Molecular Weight495.56 g/mol
Exact Mass495.21
IUPAC Name5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cccnc2)cc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C29H26FN5O2/c30-25-8-3-21(4-9-25)20-34-14-16-35(17-15-34)29(37)24-7-12-27(32-19-24)28(36)33-26-10-5-22(6-11-26)23-2-1-13-31-18-23/h1-13,18-19H,14-17,20H2,(H,33,36)
InChIKeyJYDMJWGORFCYPJ-UHFFFAOYSA-N
XLogP4.49
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide (CID 56649998) is 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide is O=C(Nc1ccc(-c2cccnc2)cc1)c1ccc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide?
The InChIKey is JYDMJWGORFCYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN5O2/c30-25-8-3-21(4-9-25)20-34-14-16-35(17-15-34)29(37)24-7-12-27(32-19-24)28(36)33-26-10-5-22(6-11-26)23-2-1-13-31-18-23/h1-13,18-19H,14-17,20H2,(H,33,36).
What are the key properties of 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide?
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-N-(4-pyridin-3-ylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 56649998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).