N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide

C14H18N2O — CID 81405077

IUPACN-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@H](NC(=O)C1CC2CC2C1)c1cccnc1
InChIInChI=1S/C14H18N2O/c1-9(10-3-2-4-15-8-10)16-14(17)13-6-11-5-12(11)7-13/h2-4,8-9,11-13H,5-7H2,1H3,(H,16,17)/t9-,11?,12?,13?/m0/s1
InChIKeyQSIMYYTYNVMHGV-KODGCSJUSA-N
MW230.31 g/mol
LogP2.30
Rot. Bonds3

About N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 81405077) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID81405077
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@H](NC(=O)C1CC2CC2C1)c1cccnc1
InChIInChI=1S/C14H18N2O/c1-9(10-3-2-4-15-8-10)16-14(17)13-6-11-5-12(11)7-13/h2-4,8-9,11-13H,5-7H2,1H3,(H,16,17)/t9-,11?,12?,13?/m0/s1
InChIKeyQSIMYYTYNVMHGV-KODGCSJUSA-N
XLogP2.30
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119863798
4-amino-N-[(1S)-1-pyridin-3-ylethyl]cyclohexane-1-carboxamide
CID 81404724
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
3-amino-N-[(1S)-1-pyridin-3-ylethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 81404200
2-(1-pyridin-3-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918472
4-methyl-2-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 104919786
(3R)-N-[(1R)-1-pyridin-3-ylethyl]piperidine-3-carboxamide
CID 81404831
N-(1-pyridin-3-ylethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 43066226
(2R)-N-(1-pyridin-3-ylethyl)piperidine-2-carboxamide;hydrochloride
CID 119998811
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
5-oxo-N-(1-pyridin-3-ylethyl)pyrrolidine-2-carboxamide
CID 110743910
N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81354766

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 81405077) is N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide is C[C@H](NC(=O)C1CC2CC2C1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is QSIMYYTYNVMHGV-KODGCSJUSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(10-3-2-4-15-8-10)16-14(17)13-6-11-5-12(11)7-13/h2-4,8-9,11-13H,5-7H2,1H3,(H,16,17)/t9-,11?,12?,13?/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 230.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 81405077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).