N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide

C19H22N4O — CID 175105269

IUPACN-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=CC1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C19H22N4O/c24-19(18-7-4-10-20-14-18)22-21-13-16-8-11-23(12-9-16)15-17-5-2-1-3-6-17/h1-7,10,13-14,16H,8-9,11-12,15H2,(H,22,24)
InChIKeyQOQFOZWQQDZRLP-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.71
Rot. Bonds5

About N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide

N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide (PubChem CID 175105269) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
PubChem CID175105269
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(NN=CC1CCN(Cc2ccccc2)CC1)c1cccnc1
InChIInChI=1S/C19H22N4O/c24-19(18-7-4-10-20-14-18)22-21-13-16-8-11-23(12-9-16)15-17-5-2-1-3-6-17/h1-7,10,13-14,16H,8-9,11-12,15H2,(H,22,24)
InChIKeyQOQFOZWQQDZRLP-UHFFFAOYSA-N
XLogP2.71
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.71
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-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
CID 155674276
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-2-pyridin-2-ylacetamide
CID 155674312
N-(cyclohex-3-en-1-ylmethylideneamino)pyridine-3-carboxamide
CID 2847162
2-(4-benzylpiperazin-1-yl)-N-(1-pyridin-3-ylethylideneamino)acetamide
CID 1185544
1-(pyridin-3-ylmethyl)piperidine-4-carbaldehyde
CID 42556102
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42407485
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 45173659
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N-phenylpyridine-3-carboxamide
CID 23223142
N-[(3S,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]pyridine-3-carboxamide
CID 100745479
N-[(E)-(2-benzyl-3-hydroxy-1-oxoisoquinolin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 135519928

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide (CID 175105269) is N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide is O=C(NN=CC1CCN(Cc2ccccc2)CC1)c1cccnc1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is QOQFOZWQQDZRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(18-7-4-10-20-14-18)22-21-13-16-8-11-23(12-9-16)15-17-5-2-1-3-6-17/h1-7,10,13-14,16H,8-9,11-12,15H2,(H,22,24).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide?
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 175105269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).