ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide

C18H22N2O — CID 91229001

IUPACethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESCC.Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H16N2O.C2H6/c1-12-7-8-14(17-11-12)18-15(19)16(9-10-16)13-5-3-2-4-6-13;1-2/h2-8,11H,9-10H2,1H3,(H,17,18,19);1-2H3
InChIKeyQJVQBKPCNKZGOM-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.09
Rot. Bonds3

About ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide

ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide (PubChem CID 91229001) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nameethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
PubChem CID91229001
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Nameethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
SMILESCC.Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1
InChIInChI=1S/C16H16N2O.C2H6/c1-12-7-8-14(17-11-12)18-15(19)16(9-10-16)13-5-3-2-4-6-13;1-2/h2-8,11H,9-10H2,1H3,(H,17,18,19);1-2H3
InChIKeyQJVQBKPCNKZGOM-UHFFFAOYSA-N
XLogP4.09
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyano-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide
CID 62880545
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CID 110439493
N-(4-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 4653745
N-(5-bromo-6-methyl-2-pyridinyl)-1-phenylcyclopentane-1-carboxamide
CID 25247161
1-acetyl-4-phenyl-N-pyridin-2-ylpiperidine-4-carboxamide
CID 75460001
(2R)-2-amino-N-(5-methyl-2-pyridinyl)-2-phenylacetamide
CID 61148111
N-(5-methyl-2-pyridinyl)-4-oxo-4-phenylbutanamide
CID 35022311
N-(5-acetamido-2-pyridinyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 139002277
N,N'-bis(5-methyl-2-pyridinyl)-2-phenylpropanediamide
CID 3419355
5-methyl-2-[(1-phenylcyclopropanecarbonyl)amino]thiophene-3-carboxylic acid
CID 63615979
N-(5-methyl-1H-imidazol-2-yl)-1-phenylcyclopentane-1-carboxamide
CID 138045929
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687

Frequently Asked Questions

What is the IUPAC name of ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide (CID 91229001) is ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide is CC.Cc1ccc(NC(=O)C2(c3ccccc3)CC2)nc1.
What is the InChIKey of ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
The InChIKey is QJVQBKPCNKZGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.C2H6/c1-12-7-8-14(17-11-12)18-15(19)16(9-10-16)13-5-3-2-4-6-13;1-2/h2-8,11H,9-10H2,1H3,(H,17,18,19);1-2H3.
What are the key properties of ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide?
ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide has a molecular weight of 282.39 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(5-methyl-2-pyridinyl)-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 91229001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).