[(1S)-1-pyridin-3-ylethyl]cyanamide

C8H9N3 — CID 81405112

IUPAC[(1S)-1-pyridin-3-ylethyl]cyanamide
SMILESC[C@H](NC#N)c1cccnc1
InChIInChI=1S/C8H9N3/c1-7(11-6-9)8-3-2-4-10-5-8/h2-5,7,11H,1H3/t7-/m0/s1
InChIKeyIHDQXKZPXNXSRU-ZETCQYMHSA-N
MW147.18 g/mol
LogP1.21
Rot. Bonds2

About [(1S)-1-pyridin-3-ylethyl]cyanamide

[(1S)-1-pyridin-3-ylethyl]cyanamide (PubChem CID 81405112) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is [(1S)-1-pyridin-3-ylethyl]cyanamide.

Molecular Properties

Compound Name[(1S)-1-pyridin-3-ylethyl]cyanamide
PubChem CID81405112
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name[(1S)-1-pyridin-3-ylethyl]cyanamide
SMILESC[C@H](NC#N)c1cccnc1
InChIInChI=1S/C8H9N3/c1-7(11-6-9)8-3-2-4-10-5-8/h2-5,7,11H,1H3/t7-/m0/s1
InChIKeyIHDQXKZPXNXSRU-ZETCQYMHSA-N
XLogP1.21
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-[[(1S)-1-pyridin-3-ylethyl]amino]acetonitrile
CID 81405202
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
4-[[(1S)-1-pyridin-3-ylethyl]amino]butanenitrile
CID 81404677
4-[1-[[(1R)-1-pyridin-3-ylethyl]amino]ethyl]benzonitrile
CID 81407237
2-(methylamino)-2-pyridin-3-ylacetonitrile
CID 43115040
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
3,3,3-trifluoro-2-[[[(1R)-1-pyridin-3-ylethyl]amino]methyl]propanenitrile
CID 103367453
N-(1-pyridin-3-ylethyl)prop-2-yn-1-amine
CID 43176996
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
2-cyano-N-(1-pyridin-3-ylethyl)acetamide
CID 43523765
3-[[(1R)-1-pyridin-3-ylethyl]amino]pentanenitrile
CID 81405126
N-(pyrazin-2-ylmethyl)-1-pyridin-3-ylethanamine
CID 62762497

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-pyridin-3-ylethyl]cyanamide?
The IUPAC name of [(1S)-1-pyridin-3-ylethyl]cyanamide (CID 81405112) is [(1S)-1-pyridin-3-ylethyl]cyanamide.
What is the SMILES notation for [(1S)-1-pyridin-3-ylethyl]cyanamide?
The canonical SMILES for [(1S)-1-pyridin-3-ylethyl]cyanamide is C[C@H](NC#N)c1cccnc1.
What is the InChIKey of [(1S)-1-pyridin-3-ylethyl]cyanamide?
The InChIKey is IHDQXKZPXNXSRU-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9N3/c1-7(11-6-9)8-3-2-4-10-5-8/h2-5,7,11H,1H3/t7-/m0/s1.
What are the key properties of [(1S)-1-pyridin-3-ylethyl]cyanamide?
[(1S)-1-pyridin-3-ylethyl]cyanamide has a molecular weight of 147.18 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-pyridin-3-ylethyl]cyanamide is sourced from PubChem (CID 81405112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).