N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide

C20H29N3O3 — CID 154856070

IUPACN-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide
SMILESCOc1cncc(C(=O)N2CC(NC(=O)C3CC(C)C3)C(C)(C)C2)c1C
InChIInChI=1S/C20H29N3O3/c1-12-6-14(7-12)18(24)22-17-10-23(11-20(17,3)4)19(25)15-8-21-9-16(26-5)13(15)2/h8-9,12,14,17H,6-7,10-11H2,1-5H3,(H,22,24)
InChIKeyVQMGJWVWMCBYDG-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.41
Rot. Bonds4

About N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide

N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide (PubChem CID 154856070) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide
PubChem CID154856070
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC NameN-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide
SMILESCOc1cncc(C(=O)N2CC(NC(=O)C3CC(C)C3)C(C)(C)C2)c1C
InChIInChI=1S/C20H29N3O3/c1-12-6-14(7-12)18(24)22-17-10-23(11-20(17,3)4)19(25)15-8-21-9-16(26-5)13(15)2/h8-9,12,14,17H,6-7,10-11H2,1-5H3,(H,22,24)
InChIKeyVQMGJWVWMCBYDG-UHFFFAOYSA-N
XLogP2.41
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide with MolForge

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Related Compounds

(5-methoxy-4-methyl-3-pyridinyl)-[3-methyl-1-(1-methylpiperidin-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone
CID 146114872
(4-hydroxy-2-methyl-2,9-diazaspiro[5.5]undecan-9-yl)-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 171913809
(3,5-dimethylpiperazin-1-yl)-(3-methoxy-4-pyridinyl)methanone
CID 105064090
7-(2-methoxy-5-methylbenzoyl)-6,8-dihydro-5H-2,7-naphthyridine-4-carboxylic acid
CID 112532738
1-(5-chloro-2-methoxybenzoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 55626791
(4-chloro-2-methoxyphenyl)-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]methanone
CID 72881471
1-(2,5-dimethoxybenzoyl)-5-methylpiperidine-3-carboxylic acid
CID 122119203
[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]-(2-methoxy-5-methylphenyl)methanone
CID 114781126
(2,4-dimethoxyphenyl)-[(3S,5S)-3,5-dimethylpiperidin-1-yl]methanone
CID 789243
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(2,4,5-trimethoxyphenyl)methanone
CID 27232905
[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 124588870
[4-[4-bromo-2-(2-methylmorpholine-4-carbonyl)-6-nitroanilino]-3,3-dimethylpyrrolidin-1-yl]-(5-bromo-3-pyridinyl)methanone
CID 175632521

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide?
The IUPAC name of N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide (CID 154856070) is N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide is COc1cncc(C(=O)N2CC(NC(=O)C3CC(C)C3)C(C)(C)C2)c1C.
What is the InChIKey of N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide?
The InChIKey is VQMGJWVWMCBYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-12-6-14(7-12)18(24)22-17-10-23(11-20(17,3)4)19(25)15-8-21-9-16(26-5)13(15)2/h8-9,12,14,17H,6-7,10-11H2,1-5H3,(H,22,24).
What are the key properties of N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide?
N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methoxy-4-methylpyridine-3-carbonyl)-4,4-dimethylpyrrolidin-3-yl]-3-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 154856070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).