N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

C24H26N4O — CID 95104988

IUPACN-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O/c1-27(17-19-8-4-2-5-9-19)24(29)21-12-13-26-23(16-21)28-15-14-25-22(18-28)20-10-6-3-7-11-20/h2-13,16,22,25H,14-15,17-18H2,1H3/t22-/m1/s1
InChIKeyRDBWISZLRDRUAZ-JOCHJYFZSA-N
MW386.50 g/mol
LogP3.50
Rot. Bonds5

About N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide

N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (PubChem CID 95104988) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
PubChem CID95104988
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1
InChIInChI=1S/C24H26N4O/c1-27(17-19-8-4-2-5-9-19)24(29)21-12-13-26-23(16-21)28-15-14-25-22(18-28)20-10-6-3-7-11-20/h2-13,16,22,25H,14-15,17-18H2,1H3/t22-/m1/s1
InChIKeyRDBWISZLRDRUAZ-JOCHJYFZSA-N
XLogP3.50
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide (CID 95104988) is N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
The InChIKey is RDBWISZLRDRUAZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H26N4O/c1-27(17-19-8-4-2-5-9-19)24(29)21-12-13-26-23(16-21)28-15-14-25-22(18-28)20-10-6-3-7-11-20/h2-13,16,22,25H,14-15,17-18H2,1H3/t22-/m1/s1.
What are the key properties of N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide?
N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-2-[(3S)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 95104988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).