methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate

C13H18N2O3 — CID 103082179

IUPACmethyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CCC(OC)C1
InChIInChI=1S/C13H18N2O3/c1-17-10-6-5-9(8-10)15-12-11(13(16)18-2)4-3-7-14-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyIKISJWVANUQFQH-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.85
Rot. Bonds4

About methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate

methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate (PubChem CID 103082179) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
PubChem CID103082179
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1CCC(OC)C1
InChIInChI=1S/C13H18N2O3/c1-17-10-6-5-9(8-10)15-12-11(13(16)18-2)4-3-7-14-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,15)
InChIKeyIKISJWVANUQFQH-UHFFFAOYSA-N
XLogP1.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(1,1-dioxothian-4-yl)amino]pyridine-3-carboxylate
CID 62000677
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997
3-[(3-ethoxycarbonyl-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66032571
2-[(3-methoxycyclopentyl)amino]pyridine-3-carbonitrile
CID 103081967
ethyl 2-[(3-aminocyclobutyl)amino]pyridine-3-carboxylate
CID 43599375
ethyl 2-[(4-carbamoylcyclohexyl)amino]pyridine-3-carboxylate
CID 61044227
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
2-(cyclopropylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 84574880
methyl 2-[(1-ethylpiperidin-3-yl)amino]pyridine-3-carboxylate
CID 62000109
methyl 2-(pyrrol-1-ylamino)pyridine-3-carboxylate
CID 79107091
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate (CID 103082179) is methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC1CCC(OC)C1.
What is the InChIKey of methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate?
The InChIKey is IKISJWVANUQFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-17-10-6-5-9(8-10)15-12-11(13(16)18-2)4-3-7-14-12/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate?
methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxycyclopentyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 103082179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).