3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

C14H16N2O2 — CID 34761975

IUPAC3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccco1)c1ccncc1
InChIInChI=1S/C14H16N2O2/c1-11(12-6-8-15-9-7-12)16-14(17)5-4-13-3-2-10-18-13/h2-3,6-11H,4-5H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyBTXYYCHKTDKJFC-NSHDSACASA-N
MW244.29 g/mol
LogP2.48
Rot. Bonds5

About 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide

3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (PubChem CID 34761975) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
PubChem CID34761975
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
SMILESC[C@H](NC(=O)CCc1ccco1)c1ccncc1
InChIInChI=1S/C14H16N2O2/c1-11(12-6-8-15-9-7-12)16-14(17)5-4-13-3-2-10-18-13/h2-3,6-11H,4-5H2,1H3,(H,16,17)/t11-/m0/s1
InChIKeyBTXYYCHKTDKJFC-NSHDSACASA-N
XLogP2.48
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(furan-2-yl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 35799098
3-(furan-2-yl)-N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]propanamide
CID 34476835
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
N-[2-(furan-2-yl)ethyl]-1-pyridin-4-ylethanamine
CID 43515507
3-(furan-2-yl)-N-[1-(3-sulfamoylphenyl)ethyl]propanamide
CID 51213557
3-(furan-2-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 47097123
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
3-[3-(furan-2-yl)propanoylamino]-2-methyl-3-phenylpropanoic acid
CID 119218976
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
4-phenyl-N-[(1R)-1-pyridin-4-ylethyl]butanamide
CID 7346867
N-(1-pyridin-4-ylethyl)pentanamide
CID 17330746
N-[1-(1-benzofuran-2-yl)ethyl]-3-(furan-2-yl)propanamide
CID 51206809

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The IUPAC name of 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide (CID 34761975) is 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The canonical SMILES for 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is C[C@H](NC(=O)CCc1ccco1)c1ccncc1.
What is the InChIKey of 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
The InChIKey is BTXYYCHKTDKJFC-NSHDSACASA-N. The full InChI is InChI=1S/C14H16N2O2/c1-11(12-6-8-15-9-7-12)16-14(17)5-4-13-3-2-10-18-13/h2-3,6-11H,4-5H2,1H3,(H,16,17)/t11-/m0/s1.
What are the key properties of 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide?
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide has a molecular weight of 244.29 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide is sourced from PubChem (CID 34761975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).