trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

C16H18N2OS — CID 95277308

IUPACtrans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccncc2)s1
InChIInChI=1S/C16H18N2OS/c1-11-3-4-15(20-11)13-9-14(13)16(19)18(2)10-12-5-7-17-8-6-12/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyNNUJPTGYXMVXBC-ZIAGYGMSSA-N
MW286.40 g/mol
LogP3.21
Rot. Bonds4

About trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 95277308) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
PubChem CID95277308
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Nametrans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
SMILESCc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccncc2)s1
InChIInChI=1S/C16H18N2OS/c1-11-3-4-15(20-11)13-9-14(13)16(19)18(2)10-12-5-7-17-8-6-12/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m1/s1
InChIKeyNNUJPTGYXMVXBC-ZIAGYGMSSA-N
XLogP3.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

2-amino-N-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237360
trans-(1S,2S)-N-(3-imidazol-1-ylpropyl)-N-methyl-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97071504
N-benzyl-N-(2-hydroxyethyl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 110921880
cis-(1S,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-[1-[(1S,2R)-2-(5-methylthiophen-2-yl)cyclopropanecarbonyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 124860150
(3R,4S)-N-methyl-4-(1-methylpyrazol-4-yl)-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120942946
1-(2-amino-2-oxoethyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 74239853
1-methyl-N-[(5-methylthiophen-2-yl)methyl]-N-(pyridin-4-ylmethyl)azepane-2-carboxamide
CID 131922742
4-methyl-2-(5-methylthiophen-2-yl)cyclohexane-1-carboxylic acid
CID 81020785
trans-(1R,2R)-N-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylcyclopropane-1-carboxamide
CID 138008737
2-amino-N,2-dimethyl-N-(pyridin-4-ylmethyl)propanamide
CID 61266560
N-methyl-N-(pyridin-4-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43564520
cis-(1R,2S)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2-(5-methylthiophen-2-yl)cyclopropane-1-carboxamide
CID 97071554

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide (CID 95277308) is trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2ccncc2)s1.
What is the InChIKey of trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is NNUJPTGYXMVXBC-ZIAGYGMSSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-3-4-15(20-11)13-9-14(13)16(19)18(2)10-12-5-7-17-8-6-12/h3-8,13-14H,9-10H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-methyl-2-(5-methylthiophen-2-yl)-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95277308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).