methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate

C15H24N2O2 — CID 114075000

IUPACmethyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate
SMILESCCCCN(c1cc(C(=O)OC)ccn1)C(C)CC
InChIInChI=1S/C15H24N2O2/c1-5-7-10-17(12(3)6-2)14-11-13(8-9-16-14)15(18)19-4/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyJWJWGAZRMAACJL-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.27
Rot. Bonds7

About methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate

methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate (PubChem CID 114075000) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate
PubChem CID114075000
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Namemethyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate
SMILESCCCCN(c1cc(C(=O)OC)ccn1)C(C)CC
InChIInChI=1S/C15H24N2O2/c1-5-7-10-17(12(3)6-2)14-11-13(8-9-16-14)15(18)19-4/h8-9,11-12H,5-7,10H2,1-4H3
InChIKeyJWJWGAZRMAACJL-UHFFFAOYSA-N
XLogP3.27
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[butan-2-yl(butyl)amino]pyridine-4-carbonitrile
CID 55004808
methyl 3-[[2-[butyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109175597
methyl 2-[bis(trideuteriomethyl)amino]pyridine-4-carboxylate
CID 155292022
methyl 2-(butan-2-ylamino)pyridine-4-carboxylate
CID 68814423
methyl 2-[[(2S)-butan-2-yl]amino]pyridine-4-carboxylate
CID 68814422
methyl 2-[azetidin-3-yl(ethyl)amino]pyridine-4-carboxylate
CID 114075171
butyl 2-(dimethylamino)pyridine-4-carboxylate
CID 78968867
2-[butyl(cyclopropyl)amino]pyridine-4-carboxylic acid
CID 61442819
methyl 3-bromo-4-[[butan-2-yl(butyl)amino]methyl]benzoate
CID 102767391
2-[(4-methoxycarbonyl-2-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 114074920
methyl 3-[[4-[butyl(methyl)amino]pyridine-2-carbonyl]amino]-4-chlorobenzoate
CID 109217873
methyl 2-(N,3-dimethylanilino)pyridine-4-carboxylate
CID 114075012

Frequently Asked Questions

What is the IUPAC name of methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate (CID 114075000) is methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate is CCCCN(c1cc(C(=O)OC)ccn1)C(C)CC.
What is the InChIKey of methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate?
The InChIKey is JWJWGAZRMAACJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-5-7-10-17(12(3)6-2)14-11-13(8-9-16-14)15(18)19-4/h8-9,11-12H,5-7,10H2,1-4H3.
What are the key properties of methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate?
methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate has a molecular weight of 264.37 g/mol, XLogP of 3.27, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[butan-2-yl(butyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114075000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).