(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride

C15H28Cl2N4O — CID 119874722

IUPAC(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCCNc1ccccn1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-12(2)11-13(16)15(20)19-10-6-5-9-18-14-7-3-4-8-17-14;;/h3-4,7-8,12-13H,5-6,9-11,16H2,1-2H3,(H,17,18)(H,19,20);2*1H/t13-;;/m0../s1
InChIKeyKFUWHYMFWPDYOK-GXKRWWSZSA-N
MW351.32 g/mol
LogP2.61
Rot. Bonds9

About (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride

(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride (PubChem CID 119874722) has the molecular formula C15H28Cl2N4O and a molecular weight of 351.32 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
PubChem CID119874722
Molecular FormulaC15H28Cl2N4O
Molecular Weight351.32 g/mol
Exact Mass350.16
IUPAC Name(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
SMILESCC(C)C[C@H](N)C(=O)NCCCCNc1ccccn1.Cl.Cl
InChIInChI=1S/C15H26N4O.2ClH/c1-12(2)11-13(16)15(20)19-10-6-5-9-18-14-7-3-4-8-17-14;;/h3-4,7-8,12-13H,5-6,9-11,16H2,1-2H3,(H,17,18)(H,19,20);2*1H/t13-;;/m0../s1
InChIKeyKFUWHYMFWPDYOK-GXKRWWSZSA-N
XLogP2.61
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 52.61
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

3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
CID 119874678
2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
CID 120670104
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
CID 119874666
(2S)-2-amino-4-methyl-N-(3-phenylpropyl)pentanamide
CID 22691113
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
2-methyl-1-(4-methylpentyl)-3-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 111943538
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
(2S)-2-amino-4-methyl-N-[(2S)-1-oxo-1-[3-(quinolin-4-ylamino)propylamino]propan-2-yl]pentanamide
CID 86573875
2-(4-aminophenyl)-N-[3-(pyridin-2-ylamino)propyl]acetamide;dihydrochloride
CID 119854549
(2S)-2-amino-N-[(4-tert-butylphenyl)methyl]-4-methylpentanamide;hydrochloride
CID 119707445
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride?
The IUPAC name of (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride (CID 119874722) is (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride.
What is the SMILES notation for (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride?
The canonical SMILES for (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride is CC(C)C[C@H](N)C(=O)NCCCCNc1ccccn1.Cl.Cl.
What is the InChIKey of (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride?
The InChIKey is KFUWHYMFWPDYOK-GXKRWWSZSA-N. The full InChI is InChI=1S/C15H26N4O.2ClH/c1-12(2)11-13(16)15(20)19-10-6-5-9-18-14-7-3-4-8-17-14;;/h3-4,7-8,12-13H,5-6,9-11,16H2,1-2H3,(H,17,18)(H,19,20);2*1H/t13-;;/m0../s1.
What are the key properties of (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride?
(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride has a molecular weight of 351.32 g/mol, XLogP of 2.61, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride is sourced from PubChem (CID 119874722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).