3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide

C21H19ClN4O2 — CID 75047403

IUPAC3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(-c2cc(C=NNC(=O)c3ccc(O)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)17-6-3-15(4-7-17)19-11-14(9-10-23-19)13-24-25-21(28)16-5-8-20(27)18(22)12-16/h3-13,27H,1-2H3,(H,25,28)
InChIKeyKTUPMERZGKTDIK-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.94
Rot. Bonds5

About 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide

3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide (PubChem CID 75047403) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide
PubChem CID75047403
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide
SMILESCN(C)c1ccc(-c2cc(C=NNC(=O)c3ccc(O)c(Cl)c3)ccn2)cc1
InChIInChI=1S/C21H19ClN4O2/c1-26(2)17-6-3-15(4-7-17)19-11-14(9-10-23-19)13-24-25-21(28)16-5-8-20(27)18(22)12-16/h3-13,27H,1-2H3,(H,25,28)
InChIKeyKTUPMERZGKTDIK-UHFFFAOYSA-N
XLogP3.94
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2,6-dichloro-N-[[4-(dimethylamino)phenyl]methylideneamino]pyridine-4-carboxamide
CID 2776651
3-chloro-N-[[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 774312
4-chloro-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]benzamide
CID 5340804
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-3-(dimethylamino)benzamide
CID 135982630
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]-N-hydroxybenzamide
CID 122601010
3-chloro-N-[[1-[2-[4-(dimethylamino)phenyl]acetyl]indol-4-yl]methylideneamino]-4-hydroxybenzamide
CID 72514126
3-(dimethylamino)-N-[(Z)-(4-hydroxy-3-iodophenyl)methylideneamino]benzamide
CID 137050197
3-[(E)-[[4-(dimethylamino)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 127042960
N-[(Z)-(2-chlorophenyl)methylideneamino]-4-(dimethylamino)benzamide
CID 6172930
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-4-hydroxy-3,5-diiodobenzamide
CID 13443213
N-[[3-[2-(3-chlorophenyl)ethenyl]phenyl]methylideneamino]-4-(dimethylamino)benzamide
CID 76666429
3-chloro-N-[[3,4-dimethoxy-5-(2-pyridin-2-ylethenyl)phenyl]methylideneamino]-4-hydroxybenzamide
CID 54009178

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide (CID 75047403) is 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide is CN(C)c1ccc(-c2cc(C=NNC(=O)c3ccc(O)c(Cl)c3)ccn2)cc1.
What is the InChIKey of 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide?
The InChIKey is KTUPMERZGKTDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-26(2)17-6-3-15(4-7-17)19-11-14(9-10-23-19)13-24-25-21(28)16-5-8-20(27)18(22)12-16/h3-13,27H,1-2H3,(H,25,28).
What are the key properties of 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide?
3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide has a molecular weight of 394.86 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[4-(dimethylamino)phenyl]-4-pyridinyl]methylideneamino]-4-hydroxybenzamide is sourced from PubChem (CID 75047403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).