N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

C17H17N3O5 — CID 17441184

IUPACN-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H17N3O5/c1-23-16-5-2-11(8-19-16)7-18-15(21)9-20-17(22)12-3-4-13-14(6-12)25-10-24-13/h2-6,8H,7,9-10H2,1H3,(H,18,21)(H,20,22)
InChIKeyNSHCJUYFPYIBGH-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.87
Rot. Bonds6

About N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide

N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 17441184) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
PubChem CID17441184
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC NameN-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cn1
InChIInChI=1S/C17H17N3O5/c1-23-16-5-2-11(8-19-16)7-18-15(21)9-20-17(22)12-3-4-13-14(6-12)25-10-24-13/h2-6,8H,7,9-10H2,1H3,(H,18,21)(H,20,22)
InChIKeyNSHCJUYFPYIBGH-UHFFFAOYSA-N
XLogP0.87
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 17420778
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18154162
N-[2-[(4-fluoro-3-methylphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 29304311
3,4-dimethoxy-N-[2-[[6-(2-methoxyethoxy)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 55844557
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[2-[(3-ethoxyphenyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 55844167
N-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 18145771
N-[2-[[3-(dimethylcarbamoyl)phenyl]methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 46424596
N-(1,3-benzodioxol-5-ylmethyl)-3,4-dimethoxybenzamide
CID 670515
3,4-dichloro-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 51306023
3,4-dihydroxy-N-[(6-methoxy-3-pyridinyl)methyl]benzamide
CID 103955476
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 17439553

Frequently Asked Questions

What is the IUPAC name of N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide (CID 17441184) is N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is COc1ccc(CNC(=O)CNC(=O)c2ccc3c(c2)OCO3)cn1.
What is the InChIKey of N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is NSHCJUYFPYIBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-23-16-5-2-11(8-19-16)7-18-15(21)9-20-17(22)12-3-4-13-14(6-12)25-10-24-13/h2-6,8H,7,9-10H2,1H3,(H,18,21)(H,20,22).
What are the key properties of N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide?
N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 343.34 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(6-methoxy-3-pyridinyl)methylamino]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 17441184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).