N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

C24H26N4O — CID 55646921

IUPACN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1
InChIInChI=1S/C24H26N4O/c29-24(22-7-4-12-25-17-22)26-23-10-8-21(9-11-23)19-28-15-13-27(14-16-28)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,26,29)
InChIKeyHAQIABAIOOTLNG-UHFFFAOYSA-N
MW386.50 g/mol
LogP3.65
Rot. Bonds6

About N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide

N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 55646921) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID55646921
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1
InChIInChI=1S/C24H26N4O/c29-24(22-7-4-12-25-17-22)26-23-10-8-21(9-11-23)19-28-15-13-27(14-16-28)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,26,29)
InChIKeyHAQIABAIOOTLNG-UHFFFAOYSA-N
XLogP3.65
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(4-benzylpiperazin-1-yl)-2-pyridinyl]pyridine-3-carboxamide
CID 113028773
N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyridine-3-carboxamide
CID 43073180
N-[4-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108925504
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-pyridin-3-ylbenzamide
CID 43921733
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-[2-[4-[(4-benzylpiperazin-1-yl)methyl]anilino]-2-oxoethyl]benzamide
CID 52681744
N-[3-[(2R,4R,6S)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]pyridine-3-carboxamide
CID 6702474
N-[3-[(2S,4S,6R)-4-[(4-benzylpiperazin-1-yl)methyl]-6-[4-(hydroxymethyl)phenyl]-1,3-dioxan-2-yl]phenyl]pyridine-3-carboxamide
CID 6696980
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-3-(methylsulfonylmethyl)benzamide
CID 55778199
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 55646921) is N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is O=C(Nc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1.
What is the InChIKey of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is HAQIABAIOOTLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c29-24(22-7-4-12-25-17-22)26-23-10-8-21(9-11-23)19-28-15-13-27(14-16-28)18-20-5-2-1-3-6-20/h1-12,17H,13-16,18-19H2,(H,26,29).
What are the key properties of N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55646921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).