ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate

C16H24N2O3 — CID 103967298

IUPACethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O3/c1-2-21-15(20)13-7-6-10-17-14(13)18-11-16(12-19)8-4-3-5-9-16/h6-7,10,19H,2-5,8-9,11-12H2,1H3,(H,17,18)
InChIKeyNBELTGUTTJPNDT-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate

ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate (PubChem CID 103967298) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
PubChem CID103967298
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC1(CO)CCCCC1
InChIInChI=1S/C16H24N2O3/c1-2-21-15(20)13-7-6-10-17-14(13)18-11-16(12-19)8-4-3-5-9-16/h6-7,10,19H,2-5,8-9,11-12H2,1H3,(H,17,18)
InChIKeyNBELTGUTTJPNDT-UHFFFAOYSA-N
XLogP2.61
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-3-carboxylate
CID 83112699
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400597
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pyridine-3-carboxylate
CID 107164465
ethyl 2-[[4-(dimethylamino)oxan-4-yl]methylamino]pyridine-3-carboxylate
CID 133471175
[1-[[(3-methylsulfonyl-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 114599025
ethyl 2-(cyclobutylmethylamino)pyridine-3-carboxylate
CID 43298774
[1-[[(3-methoxy-2-pyridinyl)amino]methyl]cyclopentyl]methanol
CID 113371010
ethyl 4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoate
CID 81400595
ethyl 2-[[(E)-4-aminobut-2-enyl]amino]pyridine-3-carboxylate
CID 113414922
ethyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695551
ethyl 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]pyridine-3-carboxylate
CID 107849492
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate (CID 103967298) is ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC1(CO)CCCCC1.
What is the InChIKey of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate?
The InChIKey is NBELTGUTTJPNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-21-15(20)13-7-6-10-17-14(13)18-11-16(12-19)8-4-3-5-9-16/h6-7,10,19H,2-5,8-9,11-12H2,1H3,(H,17,18).
What are the key properties of ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate?
ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 103967298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).