N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide

C13H12ClN3O2 — CID 61357841

IUPACN-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)c1ccncc1N
InChIInChI=1S/C13H12ClN3O2/c1-17(11-4-5-16-7-10(11)15)13(19)8-2-3-12(18)9(14)6-8/h2-7,18H,15H2,1H3
InChIKeyTWHRLLQBQXWKOK-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.30
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide

N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide (PubChem CID 61357841) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide
PubChem CID61357841
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1ccc(O)c(Cl)c1)c1ccncc1N
InChIInChI=1S/C13H12ClN3O2/c1-17(11-4-5-16-7-10(11)15)13(19)8-2-3-12(18)9(14)6-8/h2-7,18H,15H2,1H3
InChIKeyTWHRLLQBQXWKOK-UHFFFAOYSA-N
XLogP2.30
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
CID 61358233
3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936060
N-(3-amino-4-pyridinyl)-3-chloro-N-methylpyridine-4-carboxamide
CID 66462789
N-(3-amino-4-pyridinyl)-N,3,5-trimethylbenzamide
CID 61359205
N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
CID 107971013
N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 107729224
1-(3-amino-4-pyridinyl)-1-methylurea
CID 61357275
N-(3-amino-4-pyridinyl)-N,2,5-trimethylfuran-3-carboxamide
CID 61358427
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
N-(2-aminophenyl)-3-hydroxy-N-methylpyridine-4-carboxamide
CID 81446196

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide (CID 61357841) is N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide is CN(C(=O)c1ccc(O)c(Cl)c1)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide?
The InChIKey is TWHRLLQBQXWKOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-17(11-4-5-16-7-10(11)15)13(19)8-2-3-12(18)9(14)6-8/h2-7,18H,15H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide?
N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide has a molecular weight of 277.71 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 61357841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).