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

C24H30ClN5O2 — CID 155674230

IUPACN-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide
SMILESO=C(N/N=C/C1CCN(Cc2ccccc2Cl)CC1)c1ccc(NC2CCOCC2)cn1
InChIInChI=1S/C24H30ClN5O2/c25-22-4-2-1-3-19(22)17-30-11-7-18(8-12-30)15-27-29-24(31)23-6-5-21(16-26-23)28-20-9-13-32-14-10-20/h1-6,15-16,18,20,28H,7-14,17H2,(H,29,31)/b27-15+
InChIKeyGQIWPGOLAHZYNI-JFLMPSFJSA-N
MW455.99 g/mol
LogP3.95
Rot. Bonds7

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

N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide (PubChem CID 155674230) has the molecular formula C24H30ClN5O2 and a molecular weight of 455.99 g/mol. Its IUPAC name is N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide
PubChem CID155674230
Molecular FormulaC24H30ClN5O2
Molecular Weight455.99 g/mol
Exact Mass455.21
IUPAC NameN-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide
SMILESO=C(N/N=C/C1CCN(Cc2ccccc2Cl)CC1)c1ccc(NC2CCOCC2)cn1
InChIInChI=1S/C24H30ClN5O2/c25-22-4-2-1-3-19(22)17-30-11-7-18(8-12-30)15-27-29-24(31)23-6-5-21(16-26-23)28-20-9-13-32-14-10-20/h1-6,15-16,18,20,28H,7-14,17H2,(H,29,31)/b27-15+
InChIKeyGQIWPGOLAHZYNI-JFLMPSFJSA-N
XLogP3.95
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.99
LogP ≤ 53.95
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(3,4-difluoroanilino)pyridine-2-carboxamide
CID 175113658
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 175107428
N-[(2-chlorophenyl)methyl]-5-(cyclohexylamino)pyridine-2-carboxamide
CID 109183086
N-[(E)-[1-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-2-methylpropylidene]amino]pyridine-2-carboxamide
CID 155674233
N-[(1-benzylpiperidin-4-yl)methylideneamino]pyridine-3-carboxamide
CID 175105269
5-[(2-chlorophenyl)methylamino]-N-cyclopropylpyridine-2-carboxamide
CID 109179863
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-N-methylpyridine-2-carboxamide
CID 175108337
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182452
N-[(E)-(1-benzylpiperidin-4-yl)methylideneamino]-3-methylpyridine-2-carboxamide
CID 155674276
3-[5-chloro-6-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]-N-hydroxyprop-2-enamide
CID 91156598
2-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172900655
[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-cyclopropylmethanone
CID 155674268

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide (CID 155674230) is N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide is O=C(N/N=C/C1CCN(Cc2ccccc2Cl)CC1)c1ccc(NC2CCOCC2)cn1.
What is the InChIKey of N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide?
The InChIKey is GQIWPGOLAHZYNI-JFLMPSFJSA-N. The full InChI is InChI=1S/C24H30ClN5O2/c25-22-4-2-1-3-19(22)17-30-11-7-18(8-12-30)15-27-29-24(31)23-6-5-21(16-26-23)28-20-9-13-32-14-10-20/h1-6,15-16,18,20,28H,7-14,17H2,(H,29,31)/b27-15+.
What are the key properties of N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide?
N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide has a molecular weight of 455.99 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methylideneamino]-5-(oxan-4-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 155674230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).