2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride

C15H28Cl2N4O — CID 119888065

IUPAC2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)NCCCNc1ccc(C)cn1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-4-12(3)14(16)15(20)18-9-5-8-17-13-7-6-11(2)10-19-13;;/h6-7,10,12,14H,4-5,8-9,16H2,1-3H3,(H,17,19)(H,18,20);2*1H
InChIKeyLCOMAZXGWYCKPV-UHFFFAOYSA-N
MW351.32 g/mol
LogP2.53
Rot. Bonds8

About 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride

2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride (PubChem CID 119888065) has the molecular formula C15H28Cl2N4O and a molecular weight of 351.32 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
PubChem CID119888065
Molecular FormulaC15H28Cl2N4O
Molecular Weight351.32 g/mol
Exact Mass350.16
IUPAC Name2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
SMILESCCC(C)C(N)C(=O)NCCCNc1ccc(C)cn1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-4-12(3)14(16)15(20)18-9-5-8-17-13-7-6-11(2)10-19-13;;/h6-7,10,12,14H,4-5,8-9,16H2,1-3H3,(H,17,19)(H,18,20);2*1H
InChIKeyLCOMAZXGWYCKPV-UHFFFAOYSA-N
XLogP2.53
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 120565647
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
CID 119888012
(2R)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]propanamide
CID 97071138
2-(aminomethyl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119888059
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414
(2R)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-(4-oxo-3H-phthalazin-1-yl)propanamide
CID 99928932
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;dihydrochloride
CID 154911752
2-amino-3-methyl-N-[2-(4-methylphenyl)sulfanylethyl]pentanamide
CID 119691514
1-methyl-3-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1-[(1R)-1-thiophen-2-ylethyl]urea
CID 51959987
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119888081
N-(4-chloropentyl)-5-methylpyridin-2-amine
CID 106124548

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
The IUPAC name of 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride (CID 119888065) is 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride.
What is the SMILES notation for 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
The canonical SMILES for 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride is CCC(C)C(N)C(=O)NCCCNc1ccc(C)cn1.Cl.Cl.
What is the InChIKey of 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
The InChIKey is LCOMAZXGWYCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O.2ClH/c1-4-12(3)14(16)15(20)18-9-5-8-17-13-7-6-11(2)10-19-13;;/h6-7,10,12,14H,4-5,8-9,16H2,1-3H3,(H,17,19)(H,18,20);2*1H.
What are the key properties of 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 2.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119888065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).