N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

C22H21N3O6 — CID 47057976

IUPACN-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C22H21N3O6/c1-14(25-22(27)17-5-7-28-12-17)21(26)24-10-15-4-6-23-20(9-15)29-11-16-2-3-18-19(8-16)31-13-30-18/h2-9,12,14H,10-11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySNKSEIKPASSNSH-UHFFFAOYSA-N
MW423.43 g/mol
LogP2.42
Rot. Bonds8

About N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 47057976) has the molecular formula C22H21N3O6 and a molecular weight of 423.43 g/mol. Its IUPAC name is N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID47057976
Molecular FormulaC22H21N3O6
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC NameN-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1
InChIInChI=1S/C22H21N3O6/c1-14(25-22(27)17-5-7-28-12-17)21(26)24-10-15-4-6-23-20(9-15)29-11-16-2-3-18-19(8-16)31-13-30-18/h2-9,12,14H,10-11,13H2,1H3,(H,24,26)(H,25,27)
InChIKeySNKSEIKPASSNSH-UHFFFAOYSA-N
XLogP2.42
TPSA111.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[1-oxo-1-[(2-phenoxy-4-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 47057211
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-3-methoxybenzamide
CID 110348411
N-[(2-phenylmethoxy-4-pyridinyl)methyl]furan-3-carboxamide
CID 46475605
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
N-[1-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 47051546
N-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methyl]-4-morpholin-4-yl-4-oxobutanamide
CID 47042859
N-[1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 86919506
N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 110348403
benzyl N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]carbamate
CID 17443048
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-chloropropanamide
CID 2435381
[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] (2S)-2-benzamidopropanoate
CID 7571928
(2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[(2-phenoxyacetyl)amino]propanamide
CID 2566489

Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 47057976) is N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)NCc1ccnc(OCc2ccc3c(c2)OCO3)c1.
What is the InChIKey of N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is SNKSEIKPASSNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O6/c1-14(25-22(27)17-5-7-28-12-17)21(26)24-10-15-4-6-23-20(9-15)29-11-16-2-3-18-19(8-16)31-13-30-18/h2-9,12,14H,10-11,13H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 2.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(1,3-benzodioxol-5-ylmethoxy)-4-pyridinyl]methylamino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 47057976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).