5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide

C14H21ClN4O — CID 107195432

IUPAC5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2c(Cl)cc(N)cc2C(N)=O)C1
InChIInChI=1S/C14H21ClN4O/c1-19-4-2-3-9(8-19)7-18-13-11(14(17)20)5-10(16)6-12(13)15/h5-6,9,18H,2-4,7-8,16H2,1H3,(H2,17,20)
InChIKeyYTIJMLDOMWQDFC-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.77
Rot. Bonds4

About 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide

5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide (PubChem CID 107195432) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
PubChem CID107195432
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide
SMILESCN1CCCC(CNc2c(Cl)cc(N)cc2C(N)=O)C1
InChIInChI=1S/C14H21ClN4O/c1-19-4-2-3-9(8-19)7-18-13-11(14(17)20)5-10(16)6-12(13)15/h5-6,9,18H,2-4,7-8,16H2,1H3,(H2,17,20)
InChIKeyYTIJMLDOMWQDFC-UHFFFAOYSA-N
XLogP1.77
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-chloro-2-(2-cyclopropylethylamino)benzamide
CID 107196156
5-amino-3-chloro-2-(2,2-dicyclopropylethylamino)benzamide
CID 107196159
2,4-difluoro-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62654718
5-amino-3-chloro-2-[(1,4-dimethylpiperidin-4-yl)methylamino]benzamide
CID 107197042
methyl 5-amino-3-chloro-2-[(1-ethylpyrrolidin-3-yl)methylamino]benzoate
CID 107194299
5-amino-3-chloro-2-(ethylamino)benzamide
CID 107192494
5-amino-3-chloro-2-(3-pyrrolidin-1-ylpropylamino)benzamide
CID 107195763
5-amino-3-chloro-2-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]benzamide
CID 107196630
3,5-dichloro-6-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2,6-diamine
CID 102757522
2-chloro-N-methyl-5-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 62659261
5-amino-3-chloro-2-[(1-cyclopropylcyclopropyl)methylamino]benzamide
CID 114096478
5-amino-3-chloro-2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 107195201

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The IUPAC name of 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide (CID 107195432) is 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide.
What is the SMILES notation for 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The canonical SMILES for 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide is CN1CCCC(CNc2c(Cl)cc(N)cc2C(N)=O)C1.
What is the InChIKey of 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide?
The InChIKey is YTIJMLDOMWQDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-19-4-2-3-9(8-19)7-18-13-11(14(17)20)5-10(16)6-12(13)15/h5-6,9,18H,2-4,7-8,16H2,1H3,(H2,17,20).
What are the key properties of 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide?
5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide has a molecular weight of 296.80 g/mol, XLogP of 1.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-[(1-methylpiperidin-3-yl)methylamino]benzamide is sourced from PubChem (CID 107195432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).