methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate

C14H21N3O2 — CID 79110249

IUPACmethyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
SMILESCNC1CCC(Nc2ccnc(C(=O)OC)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-10-3-5-11(6-4-10)17-12-7-8-16-13(9-12)14(18)19-2/h7-11,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyWCDJDCGJPHTXIF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.81
Rot. Bonds4

About methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate

methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate (PubChem CID 79110249) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
PubChem CID79110249
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
SMILESCNC1CCC(Nc2ccnc(C(=O)OC)c2)CC1
InChIInChI=1S/C14H21N3O2/c1-15-10-3-5-11(6-4-10)17-12-7-8-16-13(9-12)14(18)19-2/h7-11,15H,3-6H2,1-2H3,(H,16,17)
InChIKeyWCDJDCGJPHTXIF-UHFFFAOYSA-N
XLogP1.81
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxamide
CID 79110565
methyl 4-[(3-ethylcyclohexyl)amino]pyridine-2-carboxylate
CID 66287289
4-[(4-methylcyclohexyl)amino]pyridine-2-carboxylic acid
CID 43143066
2-[(2-methoxycarbonyl-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66287399
4-(cyclopropylamino)-N-(3,4,5-trimethoxyphenyl)pyridine-2-carboxamide
CID 109202049
methyl 4-[2-(cycloheptylamino)ethylamino]pyridine-2-carboxylate
CID 115306769
4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
ethyl 4-[4-(cyclopropylamino)pyridine-2-carbonyl]piperazine-1-carboxylate
CID 109201937
methyl 4-(piperidin-4-ylmethylamino)pyridine-2-carboxylate
CID 66285903
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
4-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206087
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate (CID 79110249) is methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate is CNC1CCC(Nc2ccnc(C(=O)OC)c2)CC1.
What is the InChIKey of methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate?
The InChIKey is WCDJDCGJPHTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-15-10-3-5-11(6-4-10)17-12-7-8-16-13(9-12)14(18)19-2/h7-11,15H,3-6H2,1-2H3,(H,16,17).
What are the key properties of methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate?
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 79110249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).