N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide

C13H11Cl2N3O — CID 61358233

IUPACN-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1N
InChIInChI=1S/C13H11Cl2N3O/c1-18(12-4-5-17-7-11(12)16)13(19)8-2-3-9(14)10(15)6-8/h2-7H,16H2,1H3
InChIKeyKFQHWOQSKMXURB-UHFFFAOYSA-N
MW296.16 g/mol
LogP3.25
Rot. Bonds2

About N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide

N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide (PubChem CID 61358233) has the molecular formula C13H11Cl2N3O and a molecular weight of 296.16 g/mol. Its IUPAC name is N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
PubChem CID61358233
Molecular FormulaC13H11Cl2N3O
Molecular Weight296.16 g/mol
Exact Mass295.03
IUPAC NameN-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide
SMILESCN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1N
InChIInChI=1S/C13H11Cl2N3O/c1-18(12-4-5-17-7-11(12)16)13(19)8-2-3-9(14)10(15)6-8/h2-7H,16H2,1H3
InChIKeyKFQHWOQSKMXURB-UHFFFAOYSA-N
XLogP3.25
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-pyridinyl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 61357841
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
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)-3-methoxy-N-methylpyridine-4-carboxamide
CID 105063003
N-(3-amino-4-pyridinyl)-2-bromo-N-methylbenzamide
CID 61360177
N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 107729224
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
N-(3-amino-4-pyridinyl)-2,4-dimethoxy-N-methylbenzamide
CID 61359400
3-chloro-4-hydroxy-N-methyl-N-pyridin-4-ylbenzamide
CID 106936060

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide?
The IUPAC name of N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide (CID 61358233) is N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide?
The canonical SMILES for N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide is CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccncc1N.
What is the InChIKey of N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide?
The InChIKey is KFQHWOQSKMXURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O/c1-18(12-4-5-17-7-11(12)16)13(19)8-2-3-9(14)10(15)6-8/h2-7H,16H2,1H3.
What are the key properties of N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide?
N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide has a molecular weight of 296.16 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-pyridinyl)-3,4-dichloro-N-methylbenzamide is sourced from PubChem (CID 61358233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).