N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide

C19H21N3O5 — CID 87050426

IUPACN-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C)n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C19H21N3O5/c1-3-17(23)21-14-6-4-12(2)22(19(14)25)10-18(24)20-9-13-5-7-15-16(8-13)27-11-26-15/h4-8H,3,9-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJWWRCBYYRILSMA-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.55
Rot. Bonds6

About N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide

N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide (PubChem CID 87050426) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
PubChem CID87050426
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC NameN-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide
SMILESCCC(=O)Nc1ccc(C)n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O
InChIInChI=1S/C19H21N3O5/c1-3-17(23)21-14-6-4-12(2)22(19(14)25)10-18(24)20-9-13-5-7-15-16(8-13)27-11-26-15/h4-8H,3,9-11H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyJWWRCBYYRILSMA-UHFFFAOYSA-N
XLogP1.55
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-methyl-1-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]propanamide
CID 87050383
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2,4-dimethylphenyl)propanediamide
CID 108947199
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetamide
CID 9314614
N-(1,3-benzodioxol-5-ylmethyl)-N'-(2-ethylphenyl)propanediamide
CID 108947205
N-(1,3-benzodioxol-5-ylmethyl)-2-(1-oxoisoquinolin-2-yl)acetamide
CID 7284123
2-(3-acetamido-6-methyl-2-oxo-1-pyridinyl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 87050347
N-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-dimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidin-7-yl)acetamide
CID 53111882
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-methyl-2,3-dioxopyrido[2,3-b]pyrazin-1-yl)acetamide
CID 53001024
N-(1,3-benzodioxol-5-ylmethyl)-3-(propylamino)propanamide
CID 109011504
N-(1,3-benzodioxol-5-ylmethyl)-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 27658884
N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]acetamide
CID 8899813
N-[6-methyl-1-[2-[(5-methylfuran-2-yl)methylamino]-2-oxoethyl]-2-oxo-3-pyridinyl]butanamide
CID 87050468

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
The IUPAC name of N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide (CID 87050426) is N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide.
What is the SMILES notation for N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
The canonical SMILES for N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide is CCC(=O)Nc1ccc(C)n(CC(=O)NCc2ccc3c(c2)OCO3)c1=O.
What is the InChIKey of N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
The InChIKey is JWWRCBYYRILSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-3-17(23)21-14-6-4-12(2)22(19(14)25)10-18(24)20-9-13-5-7-15-16(8-13)27-11-26-15/h4-8H,3,9-11H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide?
N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide has a molecular weight of 371.39 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-6-methyl-2-oxo-3-pyridinyl]propanamide is sourced from PubChem (CID 87050426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).