N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide

C20H24N4O — CID 155674276

IUPACN-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N/N=C/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c1-16-6-5-11-21-19(16)20(25)23-22-14-17-9-12-24(13-10-17)15-18-7-3-2-4-8-18/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,23,25)/b22-14+
InChIKeyUZSJHMHBDJWCTN-HYARGMPZSA-N
MW336.44 g/mol
LogP3.02
Rot. Bonds5

About N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide

N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide (PubChem CID 155674276) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
PubChem CID155674276
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC NameN-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N/N=C/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H24N4O/c1-16-6-5-11-21-19(16)20(25)23-22-14-17-9-12-24(13-10-17)15-18-7-3-2-4-8-18/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,23,25)/b22-14+
InChIKeyUZSJHMHBDJWCTN-HYARGMPZSA-N
XLogP3.02
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.02
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-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide
CID 155674312
N-[(E)-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylideneamino]pyridine-2-carboxamide
CID 155674313
N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
CID 155674228
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 175107428
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
N-[2-(1-benzylpiperidin-4-yl)ethylideneamino]quinoline-2-carboxamide
CID 175113669
2-amino-N-(1-benzylpiperidin-4-yl)pyridine-3-carboxamide
CID 110451976
N-[1-(cyanomethyl)piperidin-4-yl]-3-methylpyridine-2-carboxamide
CID 63627666
ethyl 3-[2-(1-benzylpiperidin-4-yl)ethylcarbamoyl]pyrazine-2-carboxylate
CID 14553408
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide (CID 155674276) is N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)N/N=C/C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide?
The InChIKey is UZSJHMHBDJWCTN-HYARGMPZSA-N. The full InChI is InChI=1S/C20H24N4O/c1-16-6-5-11-21-19(16)20(25)23-22-14-17-9-12-24(13-10-17)15-18-7-3-2-4-8-18/h2-8,11,14,17H,9-10,12-13,15H2,1H3,(H,23,25)/b22-14+.
What are the key properties of N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide?
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 155674276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).