N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide

C13H15Cl2N3O — CID 114038502

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H15Cl2N3O/c14-11-5-10(12(15)18-17-11)13(19)16-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6H2,(H,16,19)
InChIKeyMQKQOVJOPGSXJZ-UHFFFAOYSA-N
MW300.19 g/mol
LogP2.95
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide

N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide (PubChem CID 114038502) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
PubChem CID114038502
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide
SMILESO=C(NCC1CC2CCC1C2)c1cc(Cl)nnc1Cl
InChIInChI=1S/C13H15Cl2N3O/c14-11-5-10(12(15)18-17-11)13(19)16-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6H2,(H,16,19)
InChIKeyMQKQOVJOPGSXJZ-UHFFFAOYSA-N
XLogP2.95
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dichloro-N-[(2-hydroxycyclohexyl)methyl]pyridazine-4-carboxamide
CID 64929672
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-chlorobenzamide
CID 63687178
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chlorobenzamide
CID 63687169
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-fluorobenzamide
CID 62613246
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydrazinylbenzamide
CID 63686504
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-hydroxybenzamide
CID 55232835
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-bromo-5-chlorobenzamide
CID 113229608
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloro-2-iodobenzamide
CID 113229546
5-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylpyridine-3-carboxamide
CID 63687718
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluorobenzamide
CID 63682899
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-hydrazinyl-5-methylbenzamide
CID 63686870
1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide (CID 114038502) is N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide is O=C(NCC1CC2CCC1C2)c1cc(Cl)nnc1Cl.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide?
The InChIKey is MQKQOVJOPGSXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c14-11-5-10(12(15)18-17-11)13(19)16-6-9-4-7-1-2-8(9)3-7/h5,7-9H,1-4,6H2,(H,16,19).
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide?
N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide has a molecular weight of 300.19 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-3,6-dichloropyridazine-4-carboxamide is sourced from PubChem (CID 114038502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).