N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide

C19H22N4O — CID 141336844

IUPACN-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCCC1)c1ccc(N2Cc3ccccc3C2)nn1
InChIInChI=1S/C19H22N4O/c24-19(20-11-14-5-1-2-6-14)17-9-10-18(22-21-17)23-12-15-7-3-4-8-16(15)13-23/h3-4,7-10,14H,1-2,5-6,11-13H2,(H,20,24)
InChIKeyMHCNISHHRYLDHI-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.92
Rot. Bonds4

About N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide

N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide (PubChem CID 141336844) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide
PubChem CID141336844
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide
SMILESO=C(NCC1CCCC1)c1ccc(N2Cc3ccccc3C2)nn1
InChIInChI=1S/C19H22N4O/c24-19(20-11-14-5-1-2-6-14)17-9-10-18(22-21-17)23-12-15-7-3-4-8-16(15)13-23/h3-4,7-10,14H,1-2,5-6,11-13H2,(H,20,24)
InChIKeyMHCNISHHRYLDHI-UHFFFAOYSA-N
XLogP2.92
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
N-cycloheptyl-6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazine-3-carboxamide
CID 109121742
N-(cyclobutylmethyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 51107519
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(4-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119535
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(oxolan-2-ylmethyl)pyridazine-3-carboxamide
CID 109115028
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109121762
N-(cyclopropylmethyl)pyridazine-3-carboxamide
CID 158437543
N-benzyl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109117891
6-(4-benzylpiperidin-1-yl)-N-cyclohexylpyridazine-3-carboxamide
CID 121028303
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide?
The IUPAC name of N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide (CID 141336844) is N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide is O=C(NCC1CCCC1)c1ccc(N2Cc3ccccc3C2)nn1.
What is the InChIKey of N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide?
The InChIKey is MHCNISHHRYLDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-19(20-11-14-5-1-2-6-14)17-9-10-18(22-21-17)23-12-15-7-3-4-8-16(15)13-23/h3-4,7-10,14H,1-2,5-6,11-13H2,(H,20,24).
What are the key properties of N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide?
N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-6-(1,3-dihydroisoindol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 141336844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).