N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide

C15H19N3O2 — CID 42244968

IUPACN-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
SMILESCN(C)c1ncccc1CNC(=O)CCc1ccco1
InChIInChI=1S/C15H19N3O2/c1-18(2)15-12(5-3-9-16-15)11-17-14(19)8-7-13-6-4-10-20-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,19)
InChIKeyHEJMDSLDHNFCKN-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds6

About N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide

N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide (PubChem CID 42244968) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
PubChem CID42244968
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide
SMILESCN(C)c1ncccc1CNC(=O)CCc1ccco1
InChIInChI=1S/C15H19N3O2/c1-18(2)15-12(5-3-9-16-15)11-17-14(19)8-7-13-6-4-10-20-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,19)
InChIKeyHEJMDSLDHNFCKN-UHFFFAOYSA-N
XLogP1.99
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethoxy-3-pyridinyl)methyl]-3-(furan-2-yl)propanamide
CID 37487260
4-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide
CID 119850383
7-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]heptanamide
CID 119850321
N-[[2-(aminomethyl)phenyl]methyl]-3-(furan-2-yl)propanamide
CID 55156972
N-ethyl-3-(furan-2-yl)propanamide
CID 60690706
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]butanamide;dihydrochloride
CID 119850372
3-(furan-2-yl)-N-[[3-[[3-(furan-2-yl)propanoylamino]methyl]phenyl]methyl]propanamide
CID 86064144
3-amino-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119953108
1-cyclopropyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-[1-(furan-2-yl)ethyl]urea
CID 75425426
3-(furan-2-yl)-N-(2-oxopropyl)propanamide
CID 64996773
3-(furan-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982425
3-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridin-2-amine
CID 55211030

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide (CID 42244968) is N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide is CN(C)c1ncccc1CNC(=O)CCc1ccco1.
What is the InChIKey of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide?
The InChIKey is HEJMDSLDHNFCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-18(2)15-12(5-3-9-16-15)11-17-14(19)8-7-13-6-4-10-20-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,17,19).
What are the key properties of N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide?
N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide has a molecular weight of 273.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 42244968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).