methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate

C15H22N2O3 — CID 62526363

IUPACmethyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1(CO)CCCC(C)C1
InChIInChI=1S/C15H22N2O3/c1-11-5-3-7-15(9-11,10-18)17-13-12(14(19)20-2)6-4-8-16-13/h4,6,8,11,18H,3,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyPBGIFUPQEPICIA-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.22
Rot. Bonds4

About methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate

methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate (PubChem CID 62526363) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
PubChem CID62526363
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1(CO)CCCC(C)C1
InChIInChI=1S/C15H22N2O3/c1-11-5-3-7-15(9-11,10-18)17-13-12(14(19)20-2)6-4-8-16-13/h4,6,8,11,18H,3,5,7,9-10H2,1-2H3,(H,16,17)
InChIKeyPBGIFUPQEPICIA-UHFFFAOYSA-N
XLogP2.22
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
[3-methyl-1-(thieno[3,2-c]pyridin-4-ylamino)cyclohexyl]methanol
CID 62526536
methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 115309040
2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
CID 55082636
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
N-[1-(chloromethyl)-3-methylcyclohexyl]-3-methylpyridin-2-amine
CID 65028763
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
CID 155558946
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
[1-[(3-amino-6-methoxy-2-pyridinyl)amino]-3-methylcyclohexyl]methanol
CID 115320724
[3-methyl-1-(thieno[3,2-d]pyrimidin-4-ylamino)cyclohexyl]methanol
CID 62525512
3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]-1-propylpyrazin-2-one
CID 62928639

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate (CID 62526363) is methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC1(CO)CCCC(C)C1.
What is the InChIKey of methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate?
The InChIKey is PBGIFUPQEPICIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11-5-3-7-15(9-11,10-18)17-13-12(14(19)20-2)6-4-8-16-13/h4,6,8,11,18H,3,5,7,9-10H2,1-2H3,(H,16,17).
What are the key properties of methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate?
methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate has a molecular weight of 278.35 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 62526363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).