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

C14H26Cl2N4O — CID 120565647

IUPAC4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
SMILESCc1ccc(NCCCNC(=O)CCC(C)N)nc1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-11-4-6-13(18-10-11)16-8-3-9-17-14(19)7-5-12(2)15;;/h4,6,10,12H,3,5,7-9,15H2,1-2H3,(H,16,18)(H,17,19);2*1H
InChIKeyCNAMIPCXDVDBKN-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.28
Rot. Bonds8

About 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride

4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride (PubChem CID 120565647) has the molecular formula C14H26Cl2N4O and a molecular weight of 337.30 g/mol. Its IUPAC name is 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
PubChem CID120565647
Molecular FormulaC14H26Cl2N4O
Molecular Weight337.30 g/mol
Exact Mass336.15
IUPAC Name4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
SMILESCc1ccc(NCCCNC(=O)CCC(C)N)nc1.Cl.Cl
InChIInChI=1S/C14H24N4O.2ClH/c1-11-4-6-13(18-10-11)16-8-3-9-17-14(19)7-5-12(2)15;;/h4,6,10,12H,3,5,7-9,15H2,1-2H3,(H,16,18)(H,17,19);2*1H
InChIKeyCNAMIPCXDVDBKN-UHFFFAOYSA-N
XLogP2.28
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.28
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-3-methyl-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride
CID 119888065
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide
CID 119888018
2-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-3-phenylpropanamide
CID 119888012
4-amino-N-(3-anilinopropyl)pentanamide
CID 120565112
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide;dihydrochloride
CID 119888049
2-(aminomethyl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119888059
N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-2-[(3R)-oxan-3-yl]acetamide
CID 124626187
4-[(5-methyl-2-pyridinyl)amino]butan-2-ol
CID 64911264
N-[2-(4-aminopentanoylamino)ethyl]-4-methylbenzamide;hydrochloride
CID 120560978
2-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749664
2-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]acetamide
CID 124749663
methyl 6-[(5-methyl-2-pyridinyl)amino]hexanoate
CID 62006414

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
The IUPAC name of 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride (CID 120565647) is 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
The canonical SMILES for 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride is Cc1ccc(NCCCNC(=O)CCC(C)N)nc1.Cl.Cl.
What is the InChIKey of 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
The InChIKey is CNAMIPCXDVDBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O.2ClH/c1-11-4-6-13(18-10-11)16-8-3-9-17-14(19)7-5-12(2)15;;/h4,6,10,12H,3,5,7-9,15H2,1-2H3,(H,16,18)(H,17,19);2*1H.
What are the key properties of 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride?
4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride has a molecular weight of 337.30 g/mol, XLogP of 2.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]pentanamide;dihydrochloride is sourced from PubChem (CID 120565647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).