tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate

C18H31N3O2 — CID 102544684

IUPACtert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate
SMILESCCCN(CCC)c1ncc(CNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C18H31N3O2/c1-7-9-21(10-8-2)16-14(3)11-15(12-19-16)13-20-17(22)23-18(4,5)6/h11-12H,7-10,13H2,1-6H3,(H,20,22)
InChIKeyDPBWQQVDGKWEOR-UHFFFAOYSA-N
MW321.47 g/mol
LogP4.04
Rot. Bonds7

About tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate

tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate (PubChem CID 102544684) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate
PubChem CID102544684
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Nametert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate
SMILESCCCN(CCC)c1ncc(CNC(=O)OC(C)(C)C)cc1C
InChIInChI=1S/C18H31N3O2/c1-7-9-21(10-8-2)16-14(3)11-15(12-19-16)13-20-17(22)23-18(4,5)6/h11-12H,7-10,13H2,1-6H3,(H,20,22)
InChIKeyDPBWQQVDGKWEOR-UHFFFAOYSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[6-(4-acetylpiperazin-1-yl)-5-methyl-3-pyridinyl]methyl]carbamate
CID 102544956
methyl 6-(dipropylamino)-5-methylpyridine-3-carboxylate
CID 102544682
tert-butyl N-[(6-ethyl-3-pyridinyl)methyl]carbamate
CID 143422700
tert-butyl N-[(2-cyanopyrimidin-5-yl)methyl]carbamate
CID 22476025
tert-butyl N-[(6-methylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546552
6-[2-(dimethylamino)ethyl-propylamino]-5-methylpyridine-3-carboxylic acid
CID 80631658
tert-butyl N-[[3-(hydroxymethyl)-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]methyl]carbamate
CID 139721370
tert-butyl N-[[6-[butan-2-yl(methyl)amino]-3-pyridinyl]methyl]carbamate
CID 174275722
tert-butyl N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]carbamate
CID 102546900
tert-butyl N-[[2-[(3,4-dimethylphenyl)methylamino]thieno[2,3-d]pyrimidin-6-yl]methyl]carbamate
CID 178139156
tert-butyl N-[2-(4-bromo-3,5-dimethylphenyl)ethyl]carbamate
CID 86697210
2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-oxazole-5-carboxylic acid
CID 170910216

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate (CID 102544684) is tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate is CCCN(CCC)c1ncc(CNC(=O)OC(C)(C)C)cc1C.
What is the InChIKey of tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate?
The InChIKey is DPBWQQVDGKWEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c1-7-9-21(10-8-2)16-14(3)11-15(12-19-16)13-20-17(22)23-18(4,5)6/h11-12H,7-10,13H2,1-6H3,(H,20,22).
What are the key properties of tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate?
tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate has a molecular weight of 321.47 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[6-(dipropylamino)-5-methyl-3-pyridinyl]methyl]carbamate is sourced from PubChem (CID 102544684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).