N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide

C20H16ClN3O2 — CID 135578751

IUPACN-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1ccncc1
InChIInChI=1S/C20H16ClN3O2/c21-18-4-2-1-3-16(18)11-14-5-6-19(25)17(12-14)13-23-24-20(26)15-7-9-22-10-8-15/h1-10,12-13,25H,11H2,(H,24,26)/b23-13+
InChIKeyLOBMEAKMPBHEQI-YDZHTSKRSA-N
MW365.82 g/mol
LogP3.80
Rot. Bonds5

About N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide

N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide (PubChem CID 135578751) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
PubChem CID135578751
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC NameN-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1ccncc1
InChIInChI=1S/C20H16ClN3O2/c21-18-4-2-1-3-16(18)11-14-5-6-19(25)17(12-14)13-23-24-20(26)15-7-9-22-10-8-15/h1-10,12-13,25H,11H2,(H,24,26)/b23-13+
InChIKeyLOBMEAKMPBHEQI-YDZHTSKRSA-N
XLogP3.80
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-hydroxybenzamide
CID 136911367
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-6-methylpyridine-3-carboxamide
CID 1351876
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]thiophene-2-carboxamide
CID 136715577
N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-phenylacetamide
CID 136690362
2-bromo-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135926012
2,4-dichloro-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 136783676
N-[[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-methylfuran-3-carboxamide
CID 3692775
4-chloro-N-[(E)-[5-[[3-[(E)-[(4-chlorobenzoyl)hydrazinylidene]methyl]-4-hydroxyphenyl]methyl]-2-hydroxyphenyl]methylideneamino]benzamide
CID 135505356
5-tert-butyl-N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-1H-pyrazole-3-carboxamide
CID 135578679
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2-(2,4,6-tribromophenoxy)acetamide
CID 135644256
(3S)-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136792682
(3R)-N-[(Z)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136792681

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide (CID 135578751) is N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1cc(Cc2ccccc2Cl)ccc1O)c1ccncc1.
What is the InChIKey of N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide?
The InChIKey is LOBMEAKMPBHEQI-YDZHTSKRSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c21-18-4-2-1-3-16(18)11-14-5-6-19(25)17(12-14)13-23-24-20(26)15-7-9-22-10-8-15/h1-10,12-13,25H,11H2,(H,24,26)/b23-13+.
What are the key properties of N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide?
N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[5-[(2-chlorophenyl)methyl]-2-hydroxyphenyl]methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135578751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).