N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide

C17H20N4O2 — CID 136517434

IUPACN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2ccnnc2C)C1
InChIInChI=1S/C17H20N4O2/c1-12-14(7-9-18-20-12)17(22)19-13-8-10-21(11-13)15-5-3-4-6-16(15)23-2/h3-7,9,13H,8,10-11H2,1-2H3,(H,19,22)
InChIKeyGMDGKBRSHFJGOG-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide (PubChem CID 136517434) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
PubChem CID136517434
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide
SMILESCOc1ccccc1N1CCC(NC(=O)c2ccnnc2C)C1
InChIInChI=1S/C17H20N4O2/c1-12-14(7-9-18-20-12)17(22)19-13-8-10-21(11-13)15-5-3-4-6-16(15)23-2/h3-7,9,13H,8,10-11H2,1-2H3,(H,19,22)
InChIKeyGMDGKBRSHFJGOG-UHFFFAOYSA-N
XLogP1.80
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 71921034
(1S,5R)-N-[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 100876121
4-(dimethylamino)-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]benzamide
CID 136514299
2,2,2-trifluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]acetamide
CID 136514261
2-chloro-N-[1-(2-methoxyphenyl)piperidin-4-yl]pyridine-3-carboxamide
CID 136579840
N-[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-(triazol-1-yl)benzamide
CID 97243982
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxopiperidine-4-carboxamide
CID 136514939
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methyl-3-(methylamino)propanamide
CID 119895369
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-methyl-5-methylsulfanylbenzamide
CID 86966315
7-fluoro-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 136514268
3-amino-N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-2-methylbutanamide;dihydrochloride
CID 120504219

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide?
The IUPAC name of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide (CID 136517434) is N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide is COc1ccccc1N1CCC(NC(=O)c2ccnnc2C)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide?
The InChIKey is GMDGKBRSHFJGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-14(7-9-18-20-12)17(22)19-13-8-10-21(11-13)15-5-3-4-6-16(15)23-2/h3-7,9,13H,8,10-11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide?
N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)pyrrolidin-3-yl]-3-methylpyridazine-4-carboxamide is sourced from PubChem (CID 136517434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).