N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide

C20H23ClN4O — CID 175108337

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide
SMILESCN(N=CC1CCN(Cc2ccccc2Cl)CC1)C(=O)c1ccccn1
InChIInChI=1S/C20H23ClN4O/c1-24(20(26)19-8-4-5-11-22-19)23-14-16-9-12-25(13-10-16)15-17-6-2-3-7-18(17)21/h2-8,11,14,16H,9-10,12-13,15H2,1H3
InChIKeyKYKZMSLNSMPPQQ-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.70
Rot. Bonds5

About N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide (PubChem CID 175108337) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide
PubChem CID175108337
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide
SMILESCN(N=CC1CCN(Cc2ccccc2Cl)CC1)C(=O)c1ccccn1
InChIInChI=1S/C20H23ClN4O/c1-24(20(26)19-8-4-5-11-22-19)23-14-16-9-12-25(13-10-16)15-17-6-2-3-7-18(17)21/h2-8,11,14,16H,9-10,12-13,15H2,1H3
InChIKeyKYKZMSLNSMPPQQ-UHFFFAOYSA-N
XLogP3.70
TPSA48.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.70
H-Bond Donors ≤ 50
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]-2-methylpropylidene]amino]pyridine-2-carboxamide
CID 155674233
N-[(E)-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methylideneamino]pyridine-2-carboxamide
CID 155674313
N-[(E)-1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]pentylideneamino]pyridine-2-carboxamide
CID 155674267
N-benzyl-1-[(2-chlorophenyl)methyl]-N-methylpiperidin-4-amine;oxalic acid
CID 17369338
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 175107428
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268
1-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 3889228
N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46054282
N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide
CID 155674230
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide
CID 175113658
N-methyl-N-[(1S)-2-phenyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 42318970

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide (CID 175108337) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide is CN(N=CC1CCN(Cc2ccccc2Cl)CC1)C(=O)c1ccccn1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide?
The InChIKey is KYKZMSLNSMPPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c1-24(20(26)19-8-4-5-11-22-19)23-14-16-9-12-25(13-10-16)15-17-6-2-3-7-18(17)21/h2-8,11,14,16H,9-10,12-13,15H2,1H3.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 175108337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).