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

C15H23N3O2 — CID 115309040

IUPACmethyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1(CN)CCCCC1C
InChIInChI=1S/C15H23N3O2/c1-11-6-3-4-8-15(11,10-16)18-13-12(14(19)20-2)7-5-9-17-13/h5,7,9,11H,3-4,6,8,10,16H2,1-2H3,(H,17,18)
InChIKeyKMBPDIQJUKVYSK-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.19
Rot. Bonds4

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

methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate (PubChem CID 115309040) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
PubChem CID115309040
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NC1(CN)CCCCC1C
InChIInChI=1S/C15H23N3O2/c1-11-6-3-4-8-15(11,10-16)18-13-12(14(19)20-2)7-5-9-17-13/h5,7,9,11H,3-4,6,8,10,16H2,1-2H3,(H,17,18)
InChIKeyKMBPDIQJUKVYSK-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(aminomethyl)-2-methylcyclohexyl]-3-nitropyridin-2-amine
CID 115308946
methyl 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]pyridine-3-carboxylate
CID 62526363
methyl 3-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]-2-methylbenzoate
CID 120607450
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
methyl 2-[(2-methylcyclohexyl)amino]pyridine-3-carboxylate
CID 60722333
methyl 2-[(2-amino-1-cyclohexylethyl)amino]pyridine-3-carboxylate
CID 115309539
N-[1-(aminomethyl)-2-methylcyclohexyl]-4-methyl-3-nitropyridin-2-amine
CID 115309017
methyl 2-(cyclopropylamino)pyridine-3-carboxylate
CID 60722666
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766
methyl 2-(1-cyclohexylethylamino)pyridine-3-carboxylate
CID 62407549
methyl 2-[(4,4-difluorocyclohexyl)amino]pyridine-3-carboxylate
CID 90092997

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate (CID 115309040) is methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate is COC(=O)c1cccnc1NC1(CN)CCCCC1C.
What is the InChIKey of methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate?
The InChIKey is KMBPDIQJUKVYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-3-4-8-15(11,10-16)18-13-12(14(19)20-2)7-5-9-17-13/h5,7,9,11H,3-4,6,8,10,16H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate?
methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(aminomethyl)-2-methylcyclohexyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 115309040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).