N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride

C15H24ClN3O2 — CID 119619715

IUPACN-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H23N3O2.ClH/c19-14-11-12(7-8-17-14)15(20)18-10-9-16-13-5-3-1-2-4-6-13;/h7-8,11,13,16H,1-6,9-10H2,(H,17,19)(H,18,20);1H
InChIKeyGXKCNCYPOHKVIL-UHFFFAOYSA-N
MW313.83 g/mol
LogP1.84
Rot. Bonds5

About N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride (PubChem CID 119619715) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride
PubChem CID119619715
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC NameN-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1cc[nH]c(=O)c1
InChIInChI=1S/C15H23N3O2.ClH/c19-14-11-12(7-8-17-14)15(20)18-10-9-16-13-5-3-1-2-4-6-13;/h7-8,11,13,16H,1-6,9-10H2,(H,17,19)(H,18,20);1H
InChIKeyGXKCNCYPOHKVIL-UHFFFAOYSA-N
XLogP1.84
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(cycloheptylamino)ethyl]-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119621482
N-(cyclopentylmethyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103762861
3,4-dichloro-N-[2-(cycloheptylamino)ethyl]benzamide
CID 115280931
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751
N-[2-(cycloheptylamino)ethyl]-3-nitrobenzamide;hydrochloride
CID 119621295
N-[2-(cycloheptylamino)ethyl]quinoline-6-carboxamide;dihydrochloride
CID 119620989
N-[2-(cycloheptylamino)ethyl]-4-iodobenzamide
CID 115306464
N-[2-(cycloheptylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 119619891
4-bromo-N-[2-(cycloheptylamino)ethyl]-3-fluorobenzamide
CID 115306485
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764080
3-acetamido-N-[2-(cycloheptylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119619954
N-[2-(cycloheptylamino)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 119619160

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride (CID 119619715) is N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride?
The InChIKey is GXKCNCYPOHKVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.ClH/c19-14-11-12(7-8-17-14)15(20)18-10-9-16-13-5-3-1-2-4-6-13;/h7-8,11,13,16H,1-6,9-10H2,(H,17,19)(H,18,20);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-2-oxo-1H-pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 119619715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).