6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide

C10H11ClN4O — CID 61051001

IUPAC6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H11ClN4O/c1-7(5-12)6-15(2)10(16)8-3-4-9(11)14-13-8/h3-4,7H,6H2,1-2H3
InChIKeyGTANLRGBHAWTLG-UHFFFAOYSA-N
MW238.68 g/mol
LogP1.36
Rot. Bonds3

About 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide

6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide (PubChem CID 61051001) has the molecular formula C10H11ClN4O and a molecular weight of 238.68 g/mol. Its IUPAC name is 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide
PubChem CID61051001
Molecular FormulaC10H11ClN4O
Molecular Weight238.68 g/mol
Exact Mass238.06
IUPAC Name6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1ccc(Cl)nn1
InChIInChI=1S/C10H11ClN4O/c1-7(5-12)6-15(2)10(16)8-3-4-9(11)14-13-8/h3-4,7H,6H2,1-2H3
InChIKeyGTANLRGBHAWTLG-UHFFFAOYSA-N
XLogP1.36
TPSA69.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.68
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 61053221
6-amino-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 62238981
6-chloro-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridazine-3-carboxamide
CID 54915932
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-N-methylpyridazine-3-carboxamide
CID 60858877
6-chloro-N-hydroxy-N-methylpyridazine-3-carboxamide
CID 130951847
N-(2-cyanopropyl)-6-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62235917
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-(2-cyanopropyl)-N,2,6-trimethylbenzamide
CID 113258335
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyridazine-3-carboxamide
CID 61041688
6-chloro-N-methyl-N-(oxan-4-ylmethyl)pyridazine-3-carboxamide
CID 55226827
N-(2-cyanopropyl)-N,5-dimethylthiophene-2-carboxamide
CID 55207587
5-chloro-N-(2-cyanopropyl)-2-methoxy-N-methylbenzamide
CID 47402460

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide (CID 61051001) is 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide is CC(C#N)CN(C)C(=O)c1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide?
The InChIKey is GTANLRGBHAWTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O/c1-7(5-12)6-15(2)10(16)8-3-4-9(11)14-13-8/h3-4,7H,6H2,1-2H3.
What are the key properties of 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide?
6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide has a molecular weight of 238.68 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-cyanopropyl)-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 61051001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).