N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide

C18H18N2O3 — CID 113090819

IUPACN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CC1)c1cccnc1
InChIInChI=1S/C18H18N2O3/c21-17(13-2-1-7-19-11-13)20-12-18(5-6-18)14-3-4-15-16(10-14)23-9-8-22-15/h1-4,7,10-11H,5-6,8-9,12H2,(H,20,21)
InChIKeyJQTOBFZHAGJDQG-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.31
Rot. Bonds4

About N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide

N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 113090819) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID113090819
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCC1(c2ccc3c(c2)OCCO3)CC1)c1cccnc1
InChIInChI=1S/C18H18N2O3/c21-17(13-2-1-7-19-11-13)20-12-18(5-6-18)14-3-4-15-16(10-14)23-9-8-22-15/h1-4,7,10-11H,5-6,8-9,12H2,(H,20,21)
InChIKeyJQTOBFZHAGJDQG-UHFFFAOYSA-N
XLogP2.31
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 113090713
3-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]benzamide
CID 119697137
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-6-chloropyridine-3-carboxamide
CID 60586843
N-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]pyridine-3-carboxamide;hydrochloride
CID 110787889
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27899280
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 46414762
N-[(E)-2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino]pyridine-3-carboxamide
CID 6898640
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 47050546
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridine-3-carboxamide
CID 110752821
1-amino-N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]cyclopentane-1-carboxamide
CID 119275364
N-[2-(1,3-benzodioxol-5-yl)ethyl]pyridine-3-carboxamide
CID 861830
N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3,5-dimethylbenzamide
CID 47873937

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 113090819) is N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide is O=C(NCC1(c2ccc3c(c2)OCCO3)CC1)c1cccnc1.
What is the InChIKey of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is JQTOBFZHAGJDQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(13-2-1-7-19-11-13)20-12-18(5-6-18)14-3-4-15-16(10-14)23-9-8-22-15/h1-4,7,10-11H,5-6,8-9,12H2,(H,20,21).
What are the key properties of N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide?
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 113090819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).