N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide

C30H38N4O2 — CID 76594606

IUPACN-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccnc(C)c1C(=O)N1C2CCC1CC(N1CCC(N(Cc3ccccc3)C(=O)C3CC3)C1)C2
InChIInChI=1S/C30H38N4O2/c1-20-12-14-31-21(2)28(20)30(36)34-24-10-11-25(34)17-27(16-24)32-15-13-26(19-32)33(29(35)23-8-9-23)18-22-6-4-3-5-7-22/h3-7,12,14,23-27H,8-11,13,15-19H2,1-2H3
InChIKeyMAVPEOCNSRNDGH-UHFFFAOYSA-N
MW486.66 g/mol
LogP4.35
Rot. Bonds6

About N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide

N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 76594606) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
PubChem CID76594606
Molecular FormulaC30H38N4O2
Molecular Weight486.66 g/mol
Exact Mass486.30
IUPAC NameN-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide
SMILESCc1ccnc(C)c1C(=O)N1C2CCC1CC(N1CCC(N(Cc3ccccc3)C(=O)C3CC3)C1)C2
InChIInChI=1S/C30H38N4O2/c1-20-12-14-31-21(2)28(20)30(36)34-24-10-11-25(34)17-27(16-24)32-15-13-26(19-32)33(29(35)23-8-9-23)18-22-6-4-3-5-7-22/h3-7,12,14,23-27H,8-11,13,15-19H2,1-2H3
InChIKeyMAVPEOCNSRNDGH-UHFFFAOYSA-N
XLogP4.35
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.66
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide with MolForge

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Related Compounds

N-benzyl-N-[3-[1-(2,4-dimethylpyridine-3-carbonyl)piperidin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]cyclopropanecarboxamide
CID 11656284
N-benzyl-N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]propanamide;dihydrochloride
CID 68952504
N-benzyl-N-[3-[1-(4,6-dimethylpyrimidine-5-carbonyl)piperidin-4-yl]-3-azabicyclo[3.2.1]octan-8-yl]cyclopropanecarboxamide
CID 11547863
N-[1-[1-(2,4-dimethylpyridine-3-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(3-fluorophenyl)methyl]oxolane-3-carboxamide
CID 11570119
1-(4-aminopentanoyl)-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
CID 120563140
(2,4-dimethyl-3-pyridinyl)-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]methanone
CID 143049045
N-[1-[1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl]piperidin-4-yl]-N-[(2-fluorophenyl)methyl]cyclopropanecarboxamide;dihydrochloride
CID 68948791
N-benzyl-N-(1-methylpyrrolidin-3-yl)acetamide
CID 23563457
N-benzyl-N-cyclopropyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633091
(2S,4S)-N-benzyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 120619878
1-(benzenesulfonyl)-N-benzyl-N-cyclopropylpiperidine-3-carboxamide
CID 46438624
N-benzyl-N-cyclopropyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 38251954

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide (CID 76594606) is N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide is Cc1ccnc(C)c1C(=O)N1C2CCC1CC(N1CCC(N(Cc3ccccc3)C(=O)C3CC3)C1)C2.
What is the InChIKey of N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
The InChIKey is MAVPEOCNSRNDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O2/c1-20-12-14-31-21(2)28(20)30(36)34-24-10-11-25(34)17-27(16-24)32-15-13-26(19-32)33(29(35)23-8-9-23)18-22-6-4-3-5-7-22/h3-7,12,14,23-27H,8-11,13,15-19H2,1-2H3.
What are the key properties of N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide?
N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 486.66 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[1-[8-(2,4-dimethylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 76594606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).