methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate

C15H20N2O3 — CID 75484641

IUPACmethyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)c2ccncc2)CCCCC1
InChIInChI=1S/C15H20N2O3/c1-20-14(19)15(7-3-2-4-8-15)11-17-13(18)12-5-9-16-10-6-12/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyXHVIOYZPEPAFND-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.93
Rot. Bonds4

About methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate

methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate (PubChem CID 75484641) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
PubChem CID75484641
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(CNC(=O)c2ccncc2)CCCCC1
InChIInChI=1S/C15H20N2O3/c1-20-14(19)15(7-3-2-4-8-15)11-17-13(18)12-5-9-16-10-6-12/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,17,18)
InChIKeyXHVIOYZPEPAFND-UHFFFAOYSA-N
XLogP1.93
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 64868056
N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359945
methyl 1-[(pyridin-4-ylamino)methyl]cyclobutane-1-carboxylate
CID 115247227
N-[[1-(bromomethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115364322
N-[[1-(2-methoxyphenyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 110444850
methyl 1-[[(2-thiophen-2-ylacetyl)amino]methyl]cyclohexane-1-carboxylate
CID 75484639
1-[[[4-(hydroxymethyl)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115435645
1-[[(4-ethylbenzoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 81369298
1-[[[4-(pyridin-4-ylmethoxy)benzoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 122108901
methyl 1-(pyridine-4-carbonyl)cyclobutane-1-carboxylate
CID 116922086
1-[(1H-pyrazole-4-carbonylamino)methyl]cycloheptane-1-carboxylic acid
CID 113310740
1-[[(2-fluoropyridine-4-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 114037106

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate (CID 75484641) is methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate is COC(=O)C1(CNC(=O)c2ccncc2)CCCCC1.
What is the InChIKey of methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate?
The InChIKey is XHVIOYZPEPAFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-14(19)15(7-3-2-4-8-15)11-17-13(18)12-5-9-16-10-6-12/h5-6,9-10H,2-4,7-8,11H2,1H3,(H,17,18).
What are the key properties of methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate?
methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(pyridine-4-carbonylamino)methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 75484641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).