methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate

C14H21N3O2 — CID 105418983

IUPACmethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1(N(C)C)CCC1
InChIInChI=1S/C14H21N3O2/c1-17(2)14(7-5-8-14)10-16-12-11(13(18)19-3)6-4-9-15-12/h4,6,9H,5,7-8,10H2,1-3H3,(H,15,16)
InChIKeyIGWODYFOQHWUDQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds5

About methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate

methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate (PubChem CID 105418983) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
PubChem CID105418983
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate
SMILESCOC(=O)c1cccnc1NCC1(N(C)C)CCC1
InChIInChI=1S/C14H21N3O2/c1-17(2)14(7-5-8-14)10-16-12-11(13(18)19-3)6-4-9-15-12/h4,6,9H,5,7-8,10H2,1-3H3,(H,15,16)
InChIKeyIGWODYFOQHWUDQ-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-3-carboxylate
CID 83112699
methyl 2-[(1-methylcyclobutyl)methylamino]pyridine-3-carboxylate
CID 104695593
ethyl 2-[[4-(dimethylamino)oxan-4-yl]methylamino]pyridine-3-carboxylate
CID 133471175
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methylsulfonylpyridin-2-amine
CID 105419005
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-propoxypyridin-2-amine
CID 105419140
methyl 2-[2-[ethyl(methyl)amino]ethylamino]pyridine-3-carboxylate
CID 55098006
methyl 2-(trimethylsilylamino)pyridine-3-carboxylate
CID 15121306
methyl 2-[(2-methoxy-2-methylpropyl)amino]pyridine-3-carboxylate
CID 104695550
methyl 2-(2-methylprop-2-enylamino)pyridine-3-carboxylate
CID 114617741
methyl 2-(2,2-dimethoxyethylamino)pyridine-3-carboxylate
CID 107389941
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
methyl 2-[(4-methylcyclohexyl)methylamino]pyridine-3-carboxylate
CID 63243766

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate (CID 105418983) is methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate is COC(=O)c1cccnc1NCC1(N(C)C)CCC1.
What is the InChIKey of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate?
The InChIKey is IGWODYFOQHWUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17(2)14(7-5-8-14)10-16-12-11(13(18)19-3)6-4-9-15-12/h4,6,9H,5,7-8,10H2,1-3H3,(H,15,16).
What are the key properties of methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate?
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 105418983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).