N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride

C23H28ClN7O — CID 67064264

IUPACN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc4ccccc4c3)nn2)[nH]1
InChIInChI=1S/C23H27N7O.ClH/c24-23-26-15-20(27-23)8-2-1-3-9-21-16-30(29-28-21)13-12-25-22(31)19-11-10-17-6-4-5-7-18(17)14-19;/h4-7,10-11,14-16H,1-3,8-9,12-13H2,(H,25,31)(H3,24,26,27);1H
InChIKeyHRMWTROQDPDLKH-UHFFFAOYSA-N
MW453.98 g/mol
LogP3.54
Rot. Bonds10

About N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride

N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 67064264) has the molecular formula C23H28ClN7O and a molecular weight of 453.98 g/mol. Its IUPAC name is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
PubChem CID67064264
Molecular FormulaC23H28ClN7O
Molecular Weight453.98 g/mol
Exact Mass453.20
IUPAC NameN-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride
SMILESCl.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc4ccccc4c3)nn2)[nH]1
InChIInChI=1S/C23H27N7O.ClH/c24-23-26-15-20(27-23)8-2-1-3-9-21-16-30(29-28-21)13-12-25-22(31)19-11-10-17-6-4-5-7-18(17)14-19;/h4-7,10-11,14-16H,1-3,8-9,12-13H2,(H,25,31)(H3,24,26,27);1H
InChIKeyHRMWTROQDPDLKH-UHFFFAOYSA-N
XLogP3.54
TPSA114.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.98
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride (CID 67064264) is N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride is Cl.Nc1ncc(CCCCCc2cn(CCNC(=O)c3ccc4ccccc4c3)nn2)[nH]1.
What is the InChIKey of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is HRMWTROQDPDLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O.ClH/c24-23-26-15-20(27-23)8-2-1-3-9-21-16-30(29-28-21)13-12-25-22(31)19-11-10-17-6-4-5-7-18(17)14-19;/h4-7,10-11,14-16H,1-3,8-9,12-13H2,(H,25,31)(H3,24,26,27);1H.
What are the key properties of N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride?
N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 453.98 g/mol, XLogP of 3.54, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[5-(2-amino-1H-imidazol-5-yl)pentyl]triazol-1-yl]ethyl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 67064264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).