methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate

C14H18N2O3 — CID 71995092

IUPACmethyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cncc(C)c2)CCCC1
InChIInChI=1S/C14H18N2O3/c1-10-7-11(9-15-8-10)12(17)16-14(13(18)19-2)5-3-4-6-14/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyVBBSPSYZYFORTF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.61
Rot. Bonds3

About methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate

methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate (PubChem CID 71995092) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
PubChem CID71995092
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)c2cncc(C)c2)CCCC1
InChIInChI=1S/C14H18N2O3/c1-10-7-11(9-15-8-10)12(17)16-14(13(18)19-2)5-3-4-6-14/h7-9H,3-6H2,1-2H3,(H,16,17)
InChIKeyVBBSPSYZYFORTF-UHFFFAOYSA-N
XLogP1.61
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 47355117
methyl 1-[(5-chloro-6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 55870839
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridine-3-carboxamide
CID 113294750
(1-aminocyclopentyl)-(5-methyl-3-pyridinyl)methanone
CID 116558812
N-[(1-hydroxycyclobutyl)methyl]-5-methylpyridine-3-carboxamide
CID 111539461
5-methyl-N-(4-methylpiperidin-4-yl)pyridine-3-carboxamide;dihydrochloride
CID 120567166
N-[[1-(aminomethyl)cyclohexyl]methyl]-5-methylpyridine-3-carboxamide
CID 103970220
1-[(5-fluoropyridine-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 104785488
methyl 1-[(5-amino-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 120619655
2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 103558920
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
methyl 1-(2,2-dimethylpropanoylamino)cyclobutane-1-carboxylate
CID 165166779

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The IUPAC name of methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate (CID 71995092) is methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate.
What is the SMILES notation for methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The canonical SMILES for methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate is COC(=O)C1(NC(=O)c2cncc(C)c2)CCCC1.
What is the InChIKey of methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate?
The InChIKey is VBBSPSYZYFORTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10-7-11(9-15-8-10)12(17)16-14(13(18)19-2)5-3-4-6-14/h7-9H,3-6H2,1-2H3,(H,16,17).
What are the key properties of methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate?
methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate is sourced from PubChem (CID 71995092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).