N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide

C13H14N2O2 — CID 57158284

IUPACN-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide
SMILESCC#CC1(C(=O)Nc2ccc(OC)nc2)CC1
InChIInChI=1S/C13H14N2O2/c1-3-6-13(7-8-13)12(16)15-10-4-5-11(17-2)14-9-10/h4-5,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyQTKXLLKMUDAIFB-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.83
Rot. Bonds3

About N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide

N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide (PubChem CID 57158284) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide
PubChem CID57158284
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide
SMILESCC#CC1(C(=O)Nc2ccc(OC)nc2)CC1
InChIInChI=1S/C13H14N2O2/c1-3-6-13(7-8-13)12(16)15-10-4-5-11(17-2)14-9-10/h4-5,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyQTKXLLKMUDAIFB-UHFFFAOYSA-N
XLogP1.83
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(aminomethyl)-N-(6-methoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 55037854
N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100779083
trans-(1S,3R)-1-ethoxy-N-(6-methoxy-3-pyridinyl)-3-methylcyclohexane-1-carboxamide
CID 100777074
N-(6-methoxy-3-pyridinyl)-2-methyl-2-(methylamino)propanamide
CID 62834491
1-acetyl-N-(6-methoxy-3-pyridinyl)-4-phenylpiperidine-4-carboxamide
CID 39898355
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
trans-(1R,2R)-N-(6-methoxy-3-pyridinyl)-2-methylcyclopropane-1-carboxamide
CID 27646060
1-(2,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)cyclohexane-1-carboxamide
CID 100771662
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869
2-bromo-N-(6-methoxy-3-pyridinyl)propanamide
CID 107902789
3,5-diamino-N-(6-methoxy-3-pyridinyl)benzamide
CID 61090732

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide?
The IUPAC name of N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide (CID 57158284) is N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide?
The canonical SMILES for N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide is CC#CC1(C(=O)Nc2ccc(OC)nc2)CC1.
What is the InChIKey of N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide?
The InChIKey is QTKXLLKMUDAIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-3-6-13(7-8-13)12(16)15-10-4-5-11(17-2)14-9-10/h4-5,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide?
N-(6-methoxy-3-pyridinyl)-1-prop-1-ynylcyclopropane-1-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 1.83, 3 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)-1-prop-1-ynylcyclopropane-1-carboxamide is sourced from PubChem (CID 57158284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).