ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate

C16H22N2O3 — CID 42796795

IUPACethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1cccnc1)C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-16(20)14-8-13(14)10-18(11(2)3)15(19)12-6-5-7-17-9-12/h5-7,9,11,13-14H,4,8,10H2,1-3H3
InChIKeyJQBDVWUQFVRFSI-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.13
Rot. Bonds6

About ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate

ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate (PubChem CID 42796795) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate
PubChem CID42796795
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Nameethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1CC1CN(C(=O)c1cccnc1)C(C)C
InChIInChI=1S/C16H22N2O3/c1-4-21-16(20)14-8-13(14)10-18(11(2)3)15(19)12-6-5-7-17-9-12/h5-7,9,11,13-14H,4,8,10H2,1-3H3
InChIKeyJQBDVWUQFVRFSI-UHFFFAOYSA-N
XLogP2.13
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[1-phenylethyl(pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylate
CID 42796798
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
ethyl 2-[[4-phenyl-N-(pyridine-4-carbonyl)anilino]methyl]cyclopropane-1-carboxylate
CID 42796826
ethyl 2-[[1H-indole-2-carbonyl(pyridin-3-ylmethyl)amino]methyl]cyclopropane-1-carboxylate
CID 42791890
4-[propan-2-yl(pyridine-3-carbonyl)amino]butanoic acid
CID 54926932
ethyl 2-[(N-acetylanilino)methyl]cyclopropane-1-carboxylate
CID 42796797
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
1-[[(1R,2S)-2-methylcyclopropyl]methyl]-1-propan-2-yl-3-pyridin-3-ylurea
CID 95783444
diethyl 2-(pyridine-3-carbonyl)butanedioate
CID 45039205
ethyl 6-pyridin-3-ylcyclohex-3-ene-1-carboxylate
CID 2798128
N,N-dimethylpyridine-3-carboxamide;hydrogen peroxide
CID 174921681
N,N-dimethylpyridine-3-carboxamide;ethane
CID 142562125

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate (CID 42796795) is ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1CN(C(=O)c1cccnc1)C(C)C.
What is the InChIKey of ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
The InChIKey is JQBDVWUQFVRFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-4-21-16(20)14-8-13(14)10-18(11(2)3)15(19)12-6-5-7-17-9-12/h5-7,9,11,13-14H,4,8,10H2,1-3H3.
What are the key properties of ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate?
ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[propan-2-yl(pyridine-3-carbonyl)amino]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 42796795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).