4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide

C16H28N4O — CID 66430410

IUPAC4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
SMILESCN(CCc1ccncc1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H28N4O/c1-16(2,3)19-15(21)11-14(12-17)20(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,14H,7,10-12,17H2,1-4H3,(H,19,21)
InChIKeyVVCPMBKZTUJHBY-UHFFFAOYSA-N
MW292.43 g/mol
LogP1.19
Rot. Bonds7

About 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide

4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide (PubChem CID 66430410) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide.

Molecular Properties

Compound Name4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
PubChem CID66430410
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide
SMILESCN(CCc1ccncc1)C(CN)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H28N4O/c1-16(2,3)19-15(21)11-14(12-17)20(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,14H,7,10-12,17H2,1-4H3,(H,19,21)
InChIKeyVVCPMBKZTUJHBY-UHFFFAOYSA-N
XLogP1.19
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-tert-butyl-3-[furan-3-ylmethyl(methyl)amino]butanamide
CID 66431838
3-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]butanehydrazide
CID 55213835
1-N-tert-butyl-2-N-methyl-2-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 55074145
4,4,4-trifluoro-3-[methyl(2-pyridin-4-ylethyl)amino]butanoic acid
CID 63067094
3-[methyl(2-pyridin-4-ylethyl)amino]pentanethioamide
CID 54945704
4-amino-N,N-diethyl-3-[methyl(2-phenylethyl)amino]butanamide
CID 66432918
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
2-N-tert-butyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopropane-1,2-dicarboxamide
CID 109138072
2-[methyl(2-pyridin-4-ylethyl)amino]pentanehydrazide
CID 83047665
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-2-carboxamide
CID 109192950
N-tert-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyrazine-2-carboxamide
CID 109285067

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide?
The IUPAC name of 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide (CID 66430410) is 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide.
What is the SMILES notation for 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide?
The canonical SMILES for 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide is CN(CCc1ccncc1)C(CN)CC(=O)NC(C)(C)C.
What is the InChIKey of 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide?
The InChIKey is VVCPMBKZTUJHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-16(2,3)19-15(21)11-14(12-17)20(4)10-7-13-5-8-18-9-6-13/h5-6,8-9,14H,7,10-12,17H2,1-4H3,(H,19,21).
What are the key properties of 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide?
4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide has a molecular weight of 292.43 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butyl-3-[methyl(2-pyridin-4-ylethyl)amino]butanamide is sourced from PubChem (CID 66430410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).