7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride

C15H26Cl2N4O2 — CID 119873088

IUPAC7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCC(=O)Nc1ccncc1
InChIInChI=1S/C15H24N4O2.2ClH/c16-9-4-2-1-3-5-14(20)18-12-8-15(21)19-13-6-10-17-11-7-13;;/h6-7,10-11H,1-5,8-9,12,16H2,(H,18,20)(H,17,19,21);2*1H
InChIKeyVZTQBRHEGCOMEW-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.28
Rot. Bonds10

About 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride

7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride (PubChem CID 119873088) has the molecular formula C15H26Cl2N4O2 and a molecular weight of 365.31 g/mol. Its IUPAC name is 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride.

Molecular Properties

Compound Name7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
PubChem CID119873088
Molecular FormulaC15H26Cl2N4O2
Molecular Weight365.31 g/mol
Exact Mass364.14
IUPAC Name7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride
SMILESCl.Cl.NCCCCCCC(=O)NCCC(=O)Nc1ccncc1
InChIInChI=1S/C15H24N4O2.2ClH/c16-9-4-2-1-3-5-14(20)18-12-8-15(21)19-13-6-10-17-11-7-13;;/h6-7,10-11H,1-5,8-9,12,16H2,(H,18,20)(H,17,19,21);2*1H
InChIKeyVZTQBRHEGCOMEW-UHFFFAOYSA-N
XLogP2.28
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
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

[6-oxo-6-(pyridin-4-ylamino)hexyl]azanium chloride
CID 44666570
7-amino-N-(4-bromophenyl)heptanamide;hydrochloride
CID 119670334
6-amino-N-[4-(carbamoylamino)phenyl]hexanamide
CID 43711108
6-[(4-chlorophenyl)methylcarbamoylamino]-N-pyridin-4-ylhexanamide
CID 166835235
1-(2-aminoethyl)-3-pyridin-4-ylurea
CID 82503728
N-pyridin-4-yl-6-(pyrimidin-2-ylamino)hexanamide
CID 71708363
7-amino-N-[4-[(carbamoylamino)methyl]phenyl]heptanamide;hydrochloride
CID 119757592
7-amino-N-(2-pyridin-3-ylethyl)heptanamide;dihydrochloride
CID 119842426
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013
4-(6-aminohexanoylamino)benzamide
CID 24702559
7-amino-N-[4-(1H-pyrazol-5-yl)phenyl]heptanamide
CID 43713256
7-amino-N-(3-bromo-4-methylphenyl)heptanamide;hydrochloride
CID 119704606

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride?
The IUPAC name of 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride (CID 119873088) is 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride.
What is the SMILES notation for 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride?
The canonical SMILES for 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride is Cl.Cl.NCCCCCCC(=O)NCCC(=O)Nc1ccncc1.
What is the InChIKey of 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride?
The InChIKey is VZTQBRHEGCOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.2ClH/c16-9-4-2-1-3-5-14(20)18-12-8-15(21)19-13-6-10-17-11-7-13;;/h6-7,10-11H,1-5,8-9,12,16H2,(H,18,20)(H,17,19,21);2*1H.
What are the key properties of 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride?
7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride has a molecular weight of 365.31 g/mol, XLogP of 2.28, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-oxo-3-(pyridin-4-ylamino)propyl]heptanamide;dihydrochloride is sourced from PubChem (CID 119873088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).