cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide

C16H22N2O — CID 878868

IUPACcis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C)cn2)C1(C)C
InChIInChI=1S/C16H22N2O/c1-10(2)8-12-14(16(12,4)5)15(19)18-13-7-6-11(3)9-17-13/h6-9,12,14H,1-5H3,(H,17,18,19)/t12-,14+/m0/s1
InChIKeyNAGQIYUNSNZTJQ-GXTWGEPZSA-N
MW258.36 g/mol
LogP3.57
Rot. Bonds3

About cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide

cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide (PubChem CID 878868) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
PubChem CID878868
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Namecis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C)cn2)C1(C)C
InChIInChI=1S/C16H22N2O/c1-10(2)8-12-14(16(12,4)5)15(19)18-13-7-6-11(3)9-17-13/h6-9,12,14H,1-5H3,(H,17,18,19)/t12-,14+/m0/s1
InChIKeyNAGQIYUNSNZTJQ-GXTWGEPZSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide (CID 878868) is cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(C)cn2)C1(C)C.
What is the InChIKey of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
The InChIKey is NAGQIYUNSNZTJQ-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10(2)8-12-14(16(12,4)5)15(19)18-13-7-6-11(3)9-17-13/h6-9,12,14H,1-5H3,(H,17,18,19)/t12-,14+/m0/s1.
What are the key properties of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide?
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(5-methyl-2-pyridinyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 878868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).