N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide

C22H27ClN4O — CID 155674233

IUPACN-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide
SMILESCC(C)/C(=N\NC(=O)c1ccccn1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN4O/c1-16(2)21(25-26-22(28)20-9-5-6-12-24-20)17-10-13-27(14-11-17)15-18-7-3-4-8-19(18)23/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,26,28)/b25-21+
InChIKeyIONUKEAJTBUPMP-NJNXFGOHSA-N
MW398.94 g/mol
LogP4.39
Rot. Bonds6

About N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide

N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide (PubChem CID 155674233) has the molecular formula C22H27ClN4O and a molecular weight of 398.94 g/mol. Its IUPAC name is N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide
PubChem CID155674233
Molecular FormulaC22H27ClN4O
Molecular Weight398.94 g/mol
Exact Mass398.19
IUPAC NameN-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide
SMILESCC(C)/C(=N\NC(=O)c1ccccn1)C1CCN(Cc2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN4O/c1-16(2)21(25-26-22(28)20-9-5-6-12-24-20)17-10-13-27(14-11-17)15-18-7-3-4-8-19(18)23/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,26,28)/b25-21+
InChIKeyIONUKEAJTBUPMP-NJNXFGOHSA-N
XLogP4.39
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 54.39
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-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide
CID 155674267
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide
CID 175108337
1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-3-methylbutan-1-one
CID 155674278
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
N-[(E)-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylideneamino]pyridine-2-carboxamide
CID 155674313
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 175107428
1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
1-[(2-chlorophenyl)methyl]-N-[(2S)-1-methoxypropan-2-yl]piperidine-4-carboxamide
CID 28630305
N-[(E)-3-(1-benzylpiperidin-4-yl)propylideneamino]pyridine-2-carboxamide
CID 155674228
2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6887785
N-[(R)-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-pyridin-2-ylmethyl]pyridine-2-carboxamide
CID 95857787

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide (CID 155674233) is N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide is CC(C)/C(=N\NC(=O)c1ccccn1)C1CCN(Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide?
The InChIKey is IONUKEAJTBUPMP-NJNXFGOHSA-N. The full InChI is InChI=1S/C22H27ClN4O/c1-16(2)21(25-26-22(28)20-9-5-6-12-24-20)17-10-13-27(14-11-17)15-18-7-3-4-8-19(18)23/h3-9,12,16-17H,10-11,13-15H2,1-2H3,(H,26,28)/b25-21+.
What are the key properties of N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide?
N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide has a molecular weight of 398.94 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155674233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).