N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide

C23H23N5O2 — CID 136781430

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H23N5O2/c29-21-12-6-5-11-18(21)16-24-27-22(30)20-15-19(17-9-3-1-4-10-17)25-23(26-20)28-13-7-2-8-14-28/h1,3-6,9-12,15-16,29H,2,7-8,13-14H2,(H,27,30)/b24-16+
InChIKeySHTCVPHLJXKDCP-LFVJCYFKSA-N
MW401.47 g/mol
LogP3.60
Rot. Bonds5

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 136781430) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID136781430
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)nc(N2CCCCC2)n1
InChIInChI=1S/C23H23N5O2/c29-21-12-6-5-11-18(21)16-24-27-22(30)20-15-19(17-9-3-1-4-10-17)25-23(26-20)28-13-7-2-8-14-28/h1,3-6,9-12,15-16,29H,2,7-8,13-14H2,(H,27,30)/b24-16+
InChIKeySHTCVPHLJXKDCP-LFVJCYFKSA-N
XLogP3.60
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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-ethylindol-3-yl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 110527441
6-phenyl-2-piperidin-1-yl-N-[(E)-(4-propoxyphenyl)methylideneamino]pyrimidine-4-carboxamide
CID 110527419
2-[(E)-[[4-[(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]hydrazinylidene]methyl]phenol
CID 169487947
2-[[(2,6-dipyrrolidin-1-ylpyrimidin-4-yl)hydrazinylidene]methyl]phenol
CID 2849890
N-[(2-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 827697
N-[(E)-(2-hydroxyphenyl)methylideneamino]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 135688694
N-[(2-hydroxyphenyl)methylideneamino]-2-pyridin-3-ylquinoline-4-carboxamide
CID 3350380
N-[(E)-(2-hydroxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 135608250
methyl 2-(4-methylpiperazin-1-yl)-6-phenylpyrimidine-4-carboxylate
CID 82635947
N-[(E)-benzylideneamino]-4-[[4,6-di(piperidin-1-yl)-1,3,5-triazin-2-yl]amino]benzamide
CID 155545896
N-[(5-nitro-2-piperidin-1-ylphenyl)methylideneamino]benzamide
CID 2824719
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 135606981

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 136781430) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide is O=C(N/N=C/c1ccccc1O)c1cc(-c2ccccc2)nc(N2CCCCC2)n1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is SHTCVPHLJXKDCP-LFVJCYFKSA-N. The full InChI is InChI=1S/C23H23N5O2/c29-21-12-6-5-11-18(21)16-24-27-22(30)20-15-19(17-9-3-1-4-10-17)25-23(26-20)28-13-7-2-8-14-28/h1,3-6,9-12,15-16,29H,2,7-8,13-14H2,(H,27,30)/b24-16+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-6-phenyl-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 136781430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).