N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

C15H19N3O2 — CID 81401992

IUPACN-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESCC(N[C@@H](C)c1ccccn1)C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O2/c1-11(14-7-3-4-8-16-14)18-12(2)15(19)17-10-13-6-5-9-20-13/h3-9,11-12,18H,10H2,1-2H3,(H,17,19)/t11-,12?/m0/s1
InChIKeyYTQYXZZIHGDGDC-PXYINDEMSA-N
MW273.34 g/mol
LogP2.03
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide

N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (PubChem CID 81401992) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
PubChem CID81401992
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
SMILESCC(N[C@@H](C)c1ccccn1)C(=O)NCc1ccco1
InChIInChI=1S/C15H19N3O2/c1-11(14-7-3-4-8-16-14)18-12(2)15(19)17-10-13-6-5-9-20-13/h3-9,11-12,18H,10H2,1-2H3,(H,17,19)/t11-,12?/m0/s1
InChIKeyYTQYXZZIHGDGDC-PXYINDEMSA-N
XLogP2.03
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396718
N-ethyl-2-(1-pyridin-2-ylethylamino)propanamide
CID 43396710
N-(furan-2-ylmethyl)-2-(pyridin-2-ylmethylamino)propanamide
CID 43084599
N-(furan-2-ylmethyl)-2-(4-methylphenyl)-2-pyridin-2-ylacetamide
CID 110373448
N-prop-2-enyl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 78980119
N-methyl-2-[[(1R)-1-pyridin-2-ylethyl]amino]propanamide
CID 81407253
4-(furan-2-yl)-N-(1-pyridin-2-ylethyl)butan-2-amine
CID 43205350
N-propan-2-yl-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide
CID 81401315
N-(furan-2-ylmethyl)-2-[(1-hydroxy-4-methylpentan-3-yl)amino]propanamide
CID 104892008
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)-2-pyridin-2-ylacetamide
CID 110373543
N-(furan-2-ylmethyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)propanamide
CID 61462816
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide (CID 81401992) is N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is CC(N[C@@H](C)c1ccccn1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
The InChIKey is YTQYXZZIHGDGDC-PXYINDEMSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(14-7-3-4-8-16-14)18-12(2)15(19)17-10-13-6-5-9-20-13/h3-9,11-12,18H,10H2,1-2H3,(H,17,19)/t11-,12?/m0/s1.
What are the key properties of N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide?
N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]propanamide is sourced from PubChem (CID 81401992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).