2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide

C19H27N3O2 — CID 109138082

IUPAC2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C19H27N3O2/c1-21(13-8-15-6-9-20-10-7-15)18(23)16-14-17(16)19(24)22-11-4-2-3-5-12-22/h6-7,9-10,16-17H,2-5,8,11-14H2,1H3
InChIKeyAVVNQHGBTFJJRC-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.12
Rot. Bonds5

About 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide

2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide (PubChem CID 109138082) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
PubChem CID109138082
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide
SMILESCN(CCc1ccncc1)C(=O)C1CC1C(=O)N1CCCCCC1
InChIInChI=1S/C19H27N3O2/c1-21(13-8-15-6-9-20-10-7-15)18(23)16-14-17(16)19(24)22-11-4-2-3-5-12-22/h6-7,9-10,16-17H,2-5,8,11-14H2,1H3
InChIKeyAVVNQHGBTFJJRC-UHFFFAOYSA-N
XLogP2.12
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
2-N-cyclohexyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109132403
N-methyl-4-(4-methylpiperidine-1-carbonyl)-N-(2-pyridin-4-ylethyl)cyclohexane-1-carboxamide
CID 109146245
N-benzyl-N-methyl-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132195
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131814
2-N-(3,5-dimethylphenyl)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138093
2-(piperidine-1-carbonyl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 109132206
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
N-methyl-N-(2-pyridin-4-ylethyl)oxane-4-carboxamide
CID 110690019
[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249940

Frequently Asked Questions

What is the IUPAC name of 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide (CID 109138082) is 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide is CN(CCc1ccncc1)C(=O)C1CC1C(=O)N1CCCCCC1.
What is the InChIKey of 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
The InChIKey is AVVNQHGBTFJJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-21(13-8-15-6-9-20-10-7-15)18(23)16-14-17(16)19(24)22-11-4-2-3-5-12-22/h6-7,9-10,16-17H,2-5,8,11-14H2,1H3.
What are the key properties of 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide?
2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepane-1-carbonyl)-N-methyl-N-(2-pyridin-4-ylethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 109138082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).