N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

C16H15N3O3 — CID 70937866

IUPACN-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
SMILESNc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1
InChIInChI=1S/C16H15N3O3/c17-14-4-2-11(8-18-14)19-15(20)16(5-6-16)10-1-3-12-13(7-10)22-9-21-12/h1-4,7-8H,5-6,9H2,(H2,17,18)(H,19,20)
InChIKeyLMTJCSJVIRNTTG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.06
Rot. Bonds3

About N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide

N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (PubChem CID 70937866) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
PubChem CID70937866
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC NameN-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide
SMILESNc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1
InChIInChI=1S/C16H15N3O3/c17-14-4-2-11(8-18-14)19-15(20)16(5-6-16)10-1-3-12-13(7-10)22-9-21-12/h1-4,7-8H,5-6,9H2,(H2,17,18)(H,19,20)
InChIKeyLMTJCSJVIRNTTG-UHFFFAOYSA-N
XLogP2.06
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid;1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yl-3-pyridinyl)cyclopropane-1-carboxamide;6-propan-2-ylpyridin-3-amine
CID 158182061
1-(1,3-benzodioxol-5-yl)-N-(6-propan-2-yloxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100782943
N-(6-amino-3-pyridinyl)-1-(3,4-dichlorophenyl)cyclobutane-1-carboxamide
CID 119515328
1-(1,3-benzodioxol-5-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113198960
ethyl 4-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]benzoate
CID 113198969
N-(6-amino-3-pyridinyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119516222
1-(1,3-benzodioxol-5-yl)-N-[4-(2-methylphenyl)phenyl]cyclopropane-1-carboxamide
CID 59206062
N-[3-(3-amino-4-methylphenyl)-4-methylphenyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;molecular hydrogen
CID 159139992
1-(1,3-benzodioxol-5-yl)-N-(4-methyl-3-phenylphenyl)cyclopropane-1-carboxamide
CID 59206481
1-(1,3-benzodioxol-5-yl)-N-[3-(2,4-dimethylphenyl)-4-methylphenyl]cyclopropane-1-carboxamide
CID 59206111
potassium 1-(1,3-benzodioxol-5-yl)-N-[5-(dimethylaminomethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765193
4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-3-pyridinyl]benzamide;molecular hydrogen
CID 161257292

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide (CID 70937866) is N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is Nc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cn1.
What is the InChIKey of N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is LMTJCSJVIRNTTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c17-14-4-2-11(8-18-14)19-15(20)16(5-6-16)10-1-3-12-13(7-10)22-9-21-12/h1-4,7-8H,5-6,9H2,(H2,17,18)(H,19,20).
What are the key properties of N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide?
N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70937866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).