4,5-dichloro-N-methylpyridine-3-carboxamide

C7H6Cl2N2O — CID 129011418

IUPAC4,5-dichloro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O/c1-10-7(12)4-2-11-3-5(8)6(4)9/h2-3H,1H3,(H,10,12)
InChIKeyXBGNBUGLCGWFRM-UHFFFAOYSA-N
MW205.04 g/mol
LogP1.75
Rot. Bonds1

About 4,5-dichloro-N-methylpyridine-3-carboxamide

4,5-dichloro-N-methylpyridine-3-carboxamide (PubChem CID 129011418) has the molecular formula C7H6Cl2N2O and a molecular weight of 205.04 g/mol. Its IUPAC name is 4,5-dichloro-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-methylpyridine-3-carboxamide
PubChem CID129011418
Molecular FormulaC7H6Cl2N2O
Molecular Weight205.04 g/mol
Exact Mass203.99
IUPAC Name4,5-dichloro-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(Cl)c1Cl
InChIInChI=1S/C7H6Cl2N2O/c1-10-7(12)4-2-11-3-5(8)6(4)9/h2-3H,1H3,(H,10,12)
InChIKeyXBGNBUGLCGWFRM-UHFFFAOYSA-N
XLogP1.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-methyl-5-(methylcarbamoyl)-3-pyridinyl]boronic acid
CID 140921059
2-amino-5-chloro-N-methylpyridine-4-carboxamide
CID 114921748
4-chloro-N-methylthieno[2,3-c]pyridine-2-carboxamide
CID 139916052
4-(methylcarbamoyl)pyridine-3-carboxylic acid
CID 130493888
2-chloro-N-methyl-5-pyridin-4-ylbenzamide
CID 28809932
N,1-dimethyl-6-oxopyrimidine-5-carboxamide
CID 141080909
5-bromo-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60865148
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
5-chloro-4-[(7-chloro-5-methyl-4-oxothieno[3,2-c]pyridin-3-yl)amino]-N-methylpyridine-3-carboxamide
CID 176653416
3,5-dichloro-N,2-dimethylbenzamide
CID 143932628
N-methyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112520529
4-chloropyridine-3,5-dicarboxamide
CID 151323477

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-methylpyridine-3-carboxamide?
The IUPAC name of 4,5-dichloro-N-methylpyridine-3-carboxamide (CID 129011418) is 4,5-dichloro-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4,5-dichloro-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-N-methylpyridine-3-carboxamide?
The InChIKey is XBGNBUGLCGWFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O/c1-10-7(12)4-2-11-3-5(8)6(4)9/h2-3H,1H3,(H,10,12).
What are the key properties of 4,5-dichloro-N-methylpyridine-3-carboxamide?
4,5-dichloro-N-methylpyridine-3-carboxamide has a molecular weight of 205.04 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 129011418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).