N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

C24H31ClN6O — CID 175107428

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)NN=CC3CCN(Cc4ccccc4Cl)CC3)nc2)CC1
InChIInChI=1S/C24H31ClN6O/c1-29-12-14-31(15-13-29)21-6-7-23(26-17-21)24(32)28-27-16-19-8-10-30(11-9-19)18-20-4-2-3-5-22(20)25/h2-7,16-17,19H,8-15,18H2,1H3,(H,28,32)
InChIKeySZKHMHNCCOFOMZ-UHFFFAOYSA-N
MW455.01 g/mol
LogP3.11
Rot. Bonds6

About N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 175107428) has the molecular formula C24H31ClN6O and a molecular weight of 455.01 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID175107428
Molecular FormulaC24H31ClN6O
Molecular Weight455.01 g/mol
Exact Mass454.22
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCN1CCN(c2ccc(C(=O)NN=CC3CCN(Cc4ccccc4Cl)CC3)nc2)CC1
InChIInChI=1S/C24H31ClN6O/c1-29-12-14-31(15-13-29)21-6-7-23(26-17-21)24(32)28-27-16-19-8-10-30(11-9-19)18-20-4-2-3-5-22(20)25/h2-7,16-17,19H,8-15,18H2,1H3,(H,28,32)
InChIKeySZKHMHNCCOFOMZ-UHFFFAOYSA-N
XLogP3.11
TPSA64.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.01
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide
CID 155674230
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide
CID 175113658
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]-2-methylpropylidene]amino]pyridine-2-carboxamide
CID 155674233
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide
CID 175108337
N-(2-ethyl-6-methylphenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186512
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
N-(2-bromophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186568
5-(4-benzylpiperazin-1-yl)-N-cyclopentylpyridine-2-carboxamide
CID 109182201
1-[(2,4-dichlorophenyl)methyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]piperidine-4-carboxamide
CID 53284614
N-(2-chlorophenyl)-5-(4-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109183519
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide (CID 175107428) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is CN1CCN(c2ccc(C(=O)NN=CC3CCN(Cc4ccccc4Cl)CC3)nc2)CC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is SZKHMHNCCOFOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O/c1-29-12-14-31(15-13-29)21-6-7-23(26-17-21)24(32)28-27-16-19-8-10-30(11-9-19)18-20-4-2-3-5-22(20)25/h2-7,16-17,19H,8-15,18H2,1H3,(H,28,32).
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 455.01 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 175107428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).