cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

C14H18N2O — CID 94822499

IUPACcis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H18N2O/c1-10-8-13(10)14(17)16(12-5-6-12)9-11-4-2-3-7-15-11/h2-4,7,10,12-13H,5-6,8-9H2,1H3/t10-,13+/m0/s1
InChIKeyWHYVVYQRRWBCCY-GXFFZTMASA-N
MW230.31 g/mol
LogP2.23
Rot. Bonds4

About cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide

cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 94822499) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
PubChem CID94822499
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Namecis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
SMILESC[C@H]1C[C@H]1C(=O)N(Cc1ccccn1)C1CC1
InChIInChI=1S/C14H18N2O/c1-10-8-13(10)14(17)16(12-5-6-12)9-11-4-2-3-7-15-11/h2-4,7,10,12-13H,5-6,8-9H2,1H3/t10-,13+/m0/s1
InChIKeyWHYVVYQRRWBCCY-GXFFZTMASA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide (CID 94822499) is cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is C[C@H]1C[C@H]1C(=O)N(Cc1ccccn1)C1CC1.
What is the InChIKey of cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is WHYVVYQRRWBCCY-GXFFZTMASA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-8-13(10)14(17)16(12-5-6-12)9-11-4-2-3-7-15-11/h2-4,7,10,12-13H,5-6,8-9H2,1H3/t10-,13+/m0/s1.
What are the key properties of cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide?
cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-N-cyclopropyl-2-methyl-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 94822499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).