N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide

C11H14N2O — CID 52519333

IUPACN-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)c1cccnc1
InChIInChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyXMSIZXIEDPYJDR-QMMMGPOBSA-N
MW190.25 g/mol
LogP1.67
Rot. Bonds3

About N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide

N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide (PubChem CID 52519333) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide
PubChem CID52519333
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC NameN-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)C1CC1)c1cccnc1
InChIInChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1
InChIKeyXMSIZXIEDPYJDR-QMMMGPOBSA-N
XLogP1.67
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide?
The IUPAC name of N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide (CID 52519333) is N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide is C[C@H](NC(=O)C1CC1)c1cccnc1.
What is the InChIKey of N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide?
The InChIKey is XMSIZXIEDPYJDR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(10-3-2-6-12-7-10)13-11(14)9-4-5-9/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide?
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanecarboxamide has a molecular weight of 190.25 g/mol, XLogP of 1.67, 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]cyclopropanecarboxamide is sourced from PubChem (CID 52519333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).