tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate

C14H21N3O3 — CID 102539652

IUPACtert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)c1ccc(N)nc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-8-4-5-11(18)10-6-7-12(15)17-9-10/h6-7,9H,4-5,8H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyYFAOFHWMIIXJOK-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.15
Rot. Bonds5

About tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate

tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate (PubChem CID 102539652) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
PubChem CID102539652
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Nametert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCC(=O)c1ccc(N)nc1
InChIInChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-8-4-5-11(18)10-6-7-12(15)17-9-10/h6-7,9H,4-5,8H2,1-3H3,(H2,15,17)(H,16,19)
InChIKeyYFAOFHWMIIXJOK-UHFFFAOYSA-N
XLogP2.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-(3,3-diphenylpropyl)nicotinamide
CID 11976309
N-Methyl-gamma-oxo-3-pyridinebutanamide
CID 436
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
2-(4-phenylbutyl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135899247
2-Propylamino-nicotinamide
CID 651580
6-(Methylamino)nicotinamide
CID 3031421
N-((3,4-dihydro-4-oxopyrido[2,3-d]pyrimidin-2-yl)methyl)-3-phenylpropanamide
CID 135899280
4-Methyl-6-(methylamino)pyridine-3-carboxamide
CID 156831805
2-Methylpyrido(2,3-d)pyrimidin-4(3H)-one
CID 135502605
2-(Methylamino)pyridine-3-carboxamide
CID 13466149
2-Amino-N-methylpyridine-3-carboxamide
CID 20585326
1-(2-Aminopyridin-5-yl)ethanone
CID 21113396

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate?
The IUPAC name of tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate (CID 102539652) is tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate?
The canonical SMILES for tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate is CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N)nc1.
What is the InChIKey of tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate?
The InChIKey is YFAOFHWMIIXJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-14(2,3)20-13(19)16-8-4-5-11(18)10-6-7-12(15)17-9-10/h6-7,9H,4-5,8H2,1-3H3,(H2,15,17)(H,16,19).
What are the key properties of tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate?
tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate has a molecular weight of 279.34 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(6-amino-3-pyridinyl)-4-oxobutyl]carbamate is sourced from PubChem (CID 102539652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).