tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate

C20H31N3O4 — CID 110627515

IUPACtert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate
SMILESCC(C)CC(CNC(=O)CCC(=O)c1cccnc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O4/c1-14(2)11-16(23-19(26)27-20(3,4)5)13-22-18(25)9-8-17(24)15-7-6-10-21-12-15/h6-7,10,12,14,16H,8-9,11,13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyFJDKXIYUGQZRBC-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.10
Rot. Bonds9

About tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate

tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate (PubChem CID 110627515) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate
PubChem CID110627515
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC Nametert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate
SMILESCC(C)CC(CNC(=O)CCC(=O)c1cccnc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C20H31N3O4/c1-14(2)11-16(23-19(26)27-20(3,4)5)13-22-18(25)9-8-17(24)15-7-6-10-21-12-15/h6-7,10,12,14,16H,8-9,11,13H2,1-5H3,(H,22,25)(H,23,26)
InChIKeyFJDKXIYUGQZRBC-UHFFFAOYSA-N
XLogP3.10
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-(3-phenoxypropanoylamino)pentan-2-yl]carbamate
CID 110288498
tert-butyl N-[(2S)-4-methyl-1-[(2-phenylacetyl)amino]pentan-2-yl]carbamate
CID 110288491
tert-butyl N-[(2S)-1-(methoxycarbonylamino)-4-methylpentan-2-yl]carbamate
CID 110288510
tert-butyl N-[(2S)-3-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]carbamate
CID 158154704
ethyl N-[4-methyl-1-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]pentan-2-yl]carbamate
CID 55654909
N-(2-methylsulfonylethyl)-4-oxo-4-pyridin-3-ylbutanamide
CID 110612486
tert-butyl N-[1-[(4-chlorobenzoyl)amino]-4-methylpentan-2-yl]carbamate
CID 20814870
4-oxo-N-(2-piperidin-1-ylpropyl)-4-pyridin-3-ylbutanamide
CID 110620637
tert-butyl 3-oxo-3-pyridin-3-ylpropanoate
CID 22925074
tert-butyl N-[2-(1-pyridin-3-ylethylamino)pentyl]carbamate
CID 107253837
tert-butyl N-[1-[[2-(dimethylamino)-2-phenylacetyl]amino]-4-methylpentan-2-yl]carbamate
CID 110627490
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110630066

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate (CID 110627515) is tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate is CC(C)CC(CNC(=O)CCC(=O)c1cccnc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate?
The InChIKey is FJDKXIYUGQZRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-14(2)11-16(23-19(26)27-20(3,4)5)13-22-18(25)9-8-17(24)15-7-6-10-21-12-15/h6-7,10,12,14,16H,8-9,11,13H2,1-5H3,(H,22,25)(H,23,26).
What are the key properties of tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate?
tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate has a molecular weight of 377.49 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-methyl-1-[(4-oxo-4-pyridin-3-ylbutanoyl)amino]pentan-2-yl]carbamate is sourced from PubChem (CID 110627515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).