2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide

C28H47N7O2 — CID 178172547

IUPAC2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
SMILESCCC(C)C(N)C(=O)N(C)CCc1ccccn1.CN(CCc1ccccn1)C(=O)C(N)CCCCN
InChIInChI=1S/C14H24N4O.C14H23N3O/c1-18(11-8-12-6-3-5-10-17-12)14(19)13(16)7-2-4-9-15;1-4-11(2)13(15)14(18)17(3)10-8-12-7-5-6-9-16-12/h3,5-6,10,13H,2,4,7-9,11,15-16H2,1H3;5-7,9,11,13H,4,8,10,15H2,1-3H3
InChIKeyIWOBBDLWEBMYKE-UHFFFAOYSA-N
MW513.73 g/mol
LogP1.99
Rot. Bonds14

About 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide

2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide (PubChem CID 178172547) has the molecular formula C28H47N7O2 and a molecular weight of 513.73 g/mol. Its IUPAC name is 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide.

Molecular Properties

Compound Name2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
PubChem CID178172547
Molecular FormulaC28H47N7O2
Molecular Weight513.73 g/mol
Exact Mass513.38
IUPAC Name2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
SMILESCCC(C)C(N)C(=O)N(C)CCc1ccccn1.CN(CCc1ccccn1)C(=O)C(N)CCCCN
InChIInChI=1S/C14H24N4O.C14H23N3O/c1-18(11-8-12-6-3-5-10-17-12)14(19)13(16)7-2-4-9-15;1-4-11(2)13(15)14(18)17(3)10-8-12-7-5-6-9-16-12/h3,5-6,10,13H,2,4,7-9,11,15-16H2,1H3;5-7,9,11,13H,4,8,10,15H2,1-3H3
InChIKeyIWOBBDLWEBMYKE-UHFFFAOYSA-N
XLogP1.99
TPSA144.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.73
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide
CID 178172548
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-pyridin-2-ylethyl (2S)-2,6-diaminohexanoate
CID 139942518
methyl 2-[methyl(2-pyridin-2-ylethyl)carbamoyl]butanoate
CID 115187986
(2S)-2-amino-N,3-dimethyl-N-(3-phenylpropyl)pentanamide
CID 61172289
3-amino-3-hydroxyimino-N,2-dimethyl-N-(2-pyridin-2-ylethyl)propanamide
CID 76926661
2-amino-N-methyl-N-(2-pyridin-2-ylethyl)-2-thiophen-2-ylacetamide
CID 115285974
N-methyl-N-(2-pyridin-2-ylethyl)-2-pyridin-2-ylsulfanylpropanamide
CID 71973637
2-(3-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 106590813
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
4-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]pentanamide
CID 120565270
ethane;N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 143678158

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide?
The IUPAC name of 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide (CID 178172547) is 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide.
What is the SMILES notation for 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide?
The canonical SMILES for 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide is CCC(C)C(N)C(=O)N(C)CCc1ccccn1.CN(CCc1ccccn1)C(=O)C(N)CCCCN.
What is the InChIKey of 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide?
The InChIKey is IWOBBDLWEBMYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.C14H23N3O/c1-18(11-8-12-6-3-5-10-17-12)14(19)13(16)7-2-4-9-15;1-4-11(2)13(15)14(18)17(3)10-8-12-7-5-6-9-16-12/h3,5-6,10,13H,2,4,7-9,11,15-16H2,1H3;5-7,9,11,13H,4,8,10,15H2,1-3H3.
What are the key properties of 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide?
2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide has a molecular weight of 513.73 g/mol, XLogP of 1.99, 14 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,3-dimethyl-N-(2-pyridin-2-ylethyl)pentanamide;2,6-diamino-N-methyl-N-(2-pyridin-2-ylethyl)hexanamide is sourced from PubChem (CID 178172547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).