methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate

C13H18N2O3 — CID 103269706

IUPACmethyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1CCC(O)C1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)11-3-2-6-14-12(11)15-8-9-4-5-10(16)7-9/h2-3,6,9-10,16H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyXJBGAXMBMIZVSC-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.44
Rot. Bonds4

About methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate

methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate (PubChem CID 103269706) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
PubChem CID103269706
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Namemethyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1CCC(O)C1
InChIInChI=1S/C13H18N2O3/c1-18-13(17)11-3-2-6-14-12(11)15-8-9-4-5-10(16)7-9/h2-3,6,9-10,16H,4-5,7-8H2,1H3,(H,14,15)
InChIKeyXJBGAXMBMIZVSC-UHFFFAOYSA-N
XLogP1.44
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 6-aminonicotinate
CID 737487
6-Aminonicotinic acid
CID 18496
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
Methyl 2-aminopyridine-3-carboxylate
CID 351633
2-(Benzylamino)nicotinic acid
CID 214596
6-(Phenylamino)nicotinic acid
CID 2771812
6-Amino-4-methylnicotinic acid
CID 9964149
6-(Methylamino)pyridine-3-carboxylic acid
CID 22271415
Ethyl 2-aminopyridine-3-carboxylate
CID 12433260
Methyl 2-(cyclohexylcarbamothioylamino)pyridine-3-carboxylate
CID 4080547

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate (CID 103269706) is methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCC1CCC(O)C1.
What is the InChIKey of methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate?
The InChIKey is XJBGAXMBMIZVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-13(17)11-3-2-6-14-12(11)15-8-9-4-5-10(16)7-9/h2-3,6,9-10,16H,4-5,7-8H2,1H3,(H,14,15).
What are the key properties of methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate?
methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-hydroxycyclopentyl)methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 103269706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).