ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide

C10H16N2O — CID 144904685

IUPACethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
SMILESCC.C[C@H](NC=O)c1cccnc1
InChIInChI=1S/C8H10N2O.C2H6/c1-7(10-6-11)8-3-2-4-9-5-8;1-2/h2-7H,1H3,(H,10,11);1-2H3/t7-;/m0./s1
InChIKeyDVNVVYXHASFBHM-FJXQXJEOSA-N
MW180.25 g/mol
LogP1.91
Rot. Bonds3

About ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide

ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide (PubChem CID 144904685) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide.

Molecular Properties

Compound Nameethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
PubChem CID144904685
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nameethane;N-[(1S)-1-pyridin-3-ylethyl]formamide
SMILESCC.C[C@H](NC=O)c1cccnc1
InChIInChI=1S/C8H10N2O.C2H6/c1-7(10-6-11)8-3-2-4-9-5-8;1-2/h2-7H,1H3,(H,10,11);1-2H3/t7-;/m0./s1
InChIKeyDVNVVYXHASFBHM-FJXQXJEOSA-N
XLogP1.91
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773
methyl (E)-3-[[(1R)-1-pyridin-3-ylethyl]amino]prop-2-enoate
CID 103258260
(1S)-1-phenyl-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 11413502
1-methyl-3-(1-pyridin-3-ylethyl)urea
CID 115576611
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
3-pyridin-3-ylbutanal
CID 12727117
[(1S)-1-pyridin-3-ylethyl]cyanamide
CID 81405112
(E)-N-[(1S)-1-pyridin-3-ylethyl]but-2-enamide
CID 78951181
2-methyl-N-[(1R)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512780
2-methyl-N-[(1S)-1-pyridin-3-ylethyl]propane-2-sulfinamide
CID 102512778
methyl N-[(1R)-1-pyridin-3-ylethyl]carbamate
CID 130621848
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide?
The IUPAC name of ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide (CID 144904685) is ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide.
What is the SMILES notation for ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide?
The canonical SMILES for ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide is CC.C[C@H](NC=O)c1cccnc1.
What is the InChIKey of ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide?
The InChIKey is DVNVVYXHASFBHM-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H10N2O.C2H6/c1-7(10-6-11)8-3-2-4-9-5-8;1-2/h2-7H,1H3,(H,10,11);1-2H3/t7-;/m0./s1.
What are the key properties of ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide?
ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide has a molecular weight of 180.25 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1S)-1-pyridin-3-ylethyl]formamide is sourced from PubChem (CID 144904685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).