N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide

C12H16N2O2 — CID 42930455

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2C)cn1
InChIInChI=1S/C12H16N2O2/c1-8-5-10(8)12(15)14-7-9-3-4-11(16-2)13-6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,14,15)
InChIKeyJBRSVIYPKDXYEU-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.36
Rot. Bonds4

About N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide

N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 42930455) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID42930455
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESCOc1ccc(CNC(=O)C2CC2C)cn1
InChIInChI=1S/C12H16N2O2/c1-8-5-10(8)12(15)14-7-9-3-4-11(16-2)13-6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,14,15)
InChIKeyJBRSVIYPKDXYEU-UHFFFAOYSA-N
XLogP1.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(6-methoxy-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 82239647
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60940395
N-[(6-methoxy-3-pyridinyl)methyl]-4-(methylamino)oxolane-3-carboxamide
CID 66267416
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
N-[(6-methoxy-3-pyridinyl)methyl]spiro[2.4]heptane-2-carboxamide
CID 139007117
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropan-1-amine
CID 114936732
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
N-[(4-hydroxyphenyl)methyl]-2-methylcyclopropane-1-carboxamide
CID 47148508
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
(2R,3R)-N-[(6-methoxy-3-pyridinyl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 154796427
N-[[4-(bromomethyl)phenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 107233713

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide (CID 42930455) is N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide is COc1ccc(CNC(=O)C2CC2C)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is JBRSVIYPKDXYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8-5-10(8)12(15)14-7-9-3-4-11(16-2)13-6-9/h3-4,6,8,10H,5,7H2,1-2H3,(H,14,15).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide?
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-3-pyridinyl)methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 42930455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).