N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

C22H22N4O2 — CID 119061888

IUPACN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NC(c3ncccc3C)C3CC3)cc2)nn1
InChIInChI=1S/C22H22N4O2/c1-14-4-3-13-23-20(14)21(16-7-8-16)24-22(27)17-9-5-15(6-10-17)18-11-12-19(28-2)26-25-18/h3-6,9-13,16,21H,7-8H2,1-2H3,(H,24,27)
InChIKeyXIMJDFCYOQLBRG-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.74
Rot. Bonds6

About N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (PubChem CID 119061888) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
PubChem CID119061888
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
SMILESCOc1ccc(-c2ccc(C(=O)NC(c3ncccc3C)C3CC3)cc2)nn1
InChIInChI=1S/C22H22N4O2/c1-14-4-3-13-23-20(14)21(16-7-8-16)24-22(27)17-9-5-15(6-10-17)18-11-12-19(28-2)26-25-18/h3-6,9-13,16,21H,7-8H2,1-2H3,(H,24,27)
InChIKeyXIMJDFCYOQLBRG-UHFFFAOYSA-N
XLogP3.74
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-methoxy-6-methylbenzamide
CID 118778909
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 125159915
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-(methylamino)-1,3-thiazole-4-carboxamide
CID 122563544
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-methoxy-2,2-dimethylpropanamide
CID 122569055
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 125171906
N-[(S)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3-phenoxypropanamide
CID 125163176
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-pyridin-3-ylacetamide
CID 118791325
4-ethoxy-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593586
[4-(6-methoxypyridazin-3-yl)phenyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 119072911
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 77084554
N-[(R)-cyclopropyl-(3-methyl-2-pyridinyl)methyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 125165962
N-[cyclopropyl(pyrimidin-2-yl)methyl]-4-[(dimethylamino)methyl]benzamide
CID 136561264

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The IUPAC name of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide (CID 119061888) is N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide.
What is the SMILES notation for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The canonical SMILES for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide is COc1ccc(-c2ccc(C(=O)NC(c3ncccc3C)C3CC3)cc2)nn1.
What is the InChIKey of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
The InChIKey is XIMJDFCYOQLBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-14-4-3-13-23-20(14)21(16-7-8-16)24-22(27)17-9-5-15(6-10-17)18-11-12-19(28-2)26-25-18/h3-6,9-13,16,21H,7-8H2,1-2H3,(H,24,27).
What are the key properties of N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide?
N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(3-methyl-2-pyridinyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide is sourced from PubChem (CID 119061888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).