cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C16H22N2O — CID 927580

IUPACcis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)NCc2ccccn2)C1(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)9-13-14(16(13,3)4)15(19)18-10-12-7-5-6-8-17-12/h5-9,13-14H,10H2,1-4H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyUCNBOTAETWBUIH-UONOGXRCSA-N
MW258.36 g/mol
LogP2.94
Rot. Bonds4

About cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 927580) 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-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID927580
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Namecis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESCC(C)=C[C@H]1[C@H](C(=O)NCc2ccccn2)C1(C)C
InChIInChI=1S/C16H22N2O/c1-11(2)9-13-14(16(13,3)4)15(19)18-10-12-7-5-6-8-17-12/h5-9,13-14H,10H2,1-4H3,(H,18,19)/t13-,14+/m0/s1
InChIKeyUCNBOTAETWBUIH-UONOGXRCSA-N
XLogP2.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[1-(pyridin-2-ylmethyl)pyrazol-3-yl]cyclopropane-1-carboxamide
CID 52536233
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 18208846
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[(3,4,5-trimethoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 51272726
1-prop-1-en-2-yl-3-(pyridin-2-ylmethyl)urea
CID 108910258
2,2-dimethyl-N-[4-(N-methylanilino)butyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 60566304
N-benzyl-2-[[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]amino]benzamide
CID 7330873
2-methyl-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 142012577
cis-(1S,3S)-N-(6-bromo-5-pyrimidin-2-yl-2-pyridinyl)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 162641020
2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11174458
4-(methylamino)-N-(pyridin-2-ylmethyl)oxolane-3-carboxamide
CID 66266558
(E)-N-(pyridin-2-ylmethyl)but-2-enamide
CID 110459675
cis-(1R,3R)-2,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 32561740

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 927580) is cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is CC(C)=C[C@H]1[C@H](C(=O)NCc2ccccn2)C1(C)C.
What is the InChIKey of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is UCNBOTAETWBUIH-UONOGXRCSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11(2)9-13-14(16(13,3)4)15(19)18-10-12-7-5-6-8-17-12/h5-9,13-14H,10H2,1-4H3,(H,18,19)/t13-,14+/m0/s1.
What are the key properties of cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 2.94, 4 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-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 927580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).