3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride

C19H28Cl2N4O — CID 119874678

IUPAC3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
SMILESCC(C(=O)NCCCCNc1ccccn1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-15(18(20)16-9-3-2-4-10-16)19(24)23-14-8-7-13-22-17-11-5-6-12-21-17;;/h2-6,9-12,15,18H,7-8,13-14,20H2,1H3,(H,21,22)(H,23,24);2*1H
InChIKeyLLHIPSTURUNFQB-UHFFFAOYSA-N
MW399.37 g/mol
LogP3.57
Rot. Bonds9

About 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride

3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride (PubChem CID 119874678) has the molecular formula C19H28Cl2N4O and a molecular weight of 399.37 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
PubChem CID119874678
Molecular FormulaC19H28Cl2N4O
Molecular Weight399.37 g/mol
Exact Mass398.16
IUPAC Name3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride
SMILESCC(C(=O)NCCCCNc1ccccn1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C19H26N4O.2ClH/c1-15(18(20)16-9-3-2-4-10-16)19(24)23-14-8-7-13-22-17-11-5-6-12-21-17;;/h2-6,9-12,15,18H,7-8,13-14,20H2,1H3,(H,21,22)(H,23,24);2*1H
InChIKeyLLHIPSTURUNFQB-UHFFFAOYSA-N
XLogP3.57
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 53.57
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

(2S)-2-amino-4-methyl-N-[4-(pyridin-2-ylamino)butyl]pentanamide;dihydrochloride
CID 119874722
2-amino-2-(4-methylphenyl)-N-[4-(pyridin-2-ylamino)butyl]acetamide;dihydrochloride
CID 120670104
3-amino-N-(5,5-dimethylhexyl)-2-methyl-3-phenylpropanamide
CID 119775743
N-(3-acetamidopropyl)-3-amino-2-methyl-3-phenylpropanamide;hydrochloride
CID 119725929
3-amino-N-(5-hydroxypentyl)-2-methyl-3-phenylpropanamide
CID 107317767
3-amino-N-(4-methoxybutyl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119722375
4-[(3-amino-2-methyl-3-phenylpropanoyl)amino]butanoic acid
CID 80552213
3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263
methyl 6-[(3-amino-2-methyl-3-phenylpropanoyl)amino]hexanoate
CID 119686216
3-amino-2-methyl-N-[3-(2-methylpropoxy)propyl]-3-phenylpropanamide;hydrochloride
CID 119693609
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
3-amino-2-methyl-N-(2-methyl-2-phenylpropyl)-3-phenylpropanamide
CID 119724309

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride?
The IUPAC name of 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride (CID 119874678) is 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride?
The canonical SMILES for 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride is CC(C(=O)NCCCCNc1ccccn1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride?
The InChIKey is LLHIPSTURUNFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.2ClH/c1-15(18(20)16-9-3-2-4-10-16)19(24)23-14-8-7-13-22-17-11-5-6-12-21-17;;/h2-6,9-12,15,18H,7-8,13-14,20H2,1H3,(H,21,22)(H,23,24);2*1H.
What are the key properties of 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride?
3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride has a molecular weight of 399.37 g/mol, XLogP of 3.57, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-3-phenyl-N-[4-(pyridin-2-ylamino)butyl]propanamide;dihydrochloride is sourced from PubChem (CID 119874678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).