N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide

C21H26N4O — CID 155674228

IUPACN-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/CCC1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C21H26N4O/c26-21(20-10-4-5-13-22-20)24-23-14-6-9-18-11-15-25(16-12-18)17-19-7-2-1-3-8-19/h1-5,7-8,10,13-14,18H,6,9,11-12,15-17H2,(H,24,26)/b23-14+
InChIKeyNBWCLZJQSPHZLT-OEAKJJBVSA-N
MW350.47 g/mol
LogP3.49
Rot. Bonds7

About N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide

N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide (PubChem CID 155674228) has the molecular formula C21H26N4O and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
PubChem CID155674228
Molecular FormulaC21H26N4O
Molecular Weight350.47 g/mol
Exact Mass350.21
IUPAC NameN-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
SMILESO=C(N/N=C/CCC1CCN(Cc2ccccc2)CC1)c1ccccn1
InChIInChI=1S/C21H26N4O/c26-21(20-10-4-5-13-22-20)24-23-14-6-9-18-11-15-25(16-12-18)17-19-7-2-1-3-8-19/h1-5,7-8,10,13-14,18H,6,9,11-12,15-17H2,(H,24,26)/b23-14+
InChIKeyNBWCLZJQSPHZLT-OEAKJJBVSA-N
XLogP3.49
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
CID 175113669
N-[(E)-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylideneamino]pyridine-2-carboxamide
CID 155674313
N-[(E)-3-aminopropylideneamino]pyridine-2-carboxamide;ethane
CID 142936010
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
CID 155674276
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide
CID 155674312
N-[4-(4-benzylpiperazin-1-yl)butyl]pyridine-2-carboxamide
CID 55932888
N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide
CID 155674233
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide
CID 143091402
2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide (CID 155674228) is N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide is O=C(N/N=C/CCC1CCN(Cc2ccccc2)CC1)c1ccccn1.
What is the InChIKey of N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide?
The InChIKey is NBWCLZJQSPHZLT-OEAKJJBVSA-N. The full InChI is InChI=1S/C21H26N4O/c26-21(20-10-4-5-13-22-20)24-23-14-6-9-18-11-15-25(16-12-18)17-19-7-2-1-3-8-19/h1-5,7-8,10,13-14,18H,6,9,11-12,15-17H2,(H,24,26)/b23-14+.
What are the key properties of N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide?
N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide has a molecular weight of 350.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide is sourced from PubChem (CID 155674228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).