N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

C19H26ClN3O3 — CID 119619648

IUPACN-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C19H25N3O3.ClH/c23-18(21-12-11-20-14-6-3-1-2-4-7-14)15-9-10-16(22-19(15)24)17-8-5-13-25-17;/h5,8-10,13-14,20H,1-4,6-7,11-12H2,(H,21,23)(H,22,24);1H
InChIKeyBKEYZVWLGFFNBT-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride

N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (PubChem CID 119619648) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
PubChem CID119619648
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC NameN-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCCNC1CCCCCC1)c1ccc(-c2ccco2)[nH]c1=O
InChIInChI=1S/C19H25N3O3.ClH/c23-18(21-12-11-20-14-6-3-1-2-4-7-14)15-9-10-16(22-19(15)24)17-8-5-13-25-17;/h5,8-10,13-14,20H,1-4,6-7,11-12H2,(H,21,23)(H,22,24);1H
InChIKeyBKEYZVWLGFFNBT-UHFFFAOYSA-N
XLogP3.10
TPSA87.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.10
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

N-[2-(cycloheptylamino)ethyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 119620529
6-(furan-2-yl)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95977413
6-(furan-2-yl)-2-oxo-N-(2-piperazin-1-ylethyl)-1H-pyridine-3-carboxamide
CID 119445716
6-(furan-2-yl)-N-(3-methylbutyl)-2-oxo-1H-pyridine-3-carboxamide
CID 47459019
N-(3-aminobutyl)-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 119495794
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977432
6-(furan-2-yl)-2-oxo-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 71934139
3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 119466891
N-[2-(cycloheptylamino)ethyl]-2-oxo-5,6,7,8-tetrahydro-1H-quinoline-3-carboxamide
CID 119621149
3-cyclopropyl-2-[[6-(furan-2-yl)-2-oxo-1H-pyridine-3-carbonyl]amino]propanoic acid
CID 120535956
N-[2-(cycloheptylamino)ethyl]-2-methylfuran-3-carboxamide
CID 81483390
N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide
CID 95977473

Frequently Asked Questions

What is the IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride (CID 119619648) is N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is Cl.O=C(NCCNC1CCCCCC1)c1ccc(-c2ccco2)[nH]c1=O.
What is the InChIKey of N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
The InChIKey is BKEYZVWLGFFNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c23-18(21-12-11-20-14-6-3-1-2-4-7-14)15-9-10-16(22-19(15)24)17-8-5-13-25-17;/h5,8-10,13-14,20H,1-4,6-7,11-12H2,(H,21,23)(H,22,24);1H.
What are the key properties of N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride?
N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 3.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cycloheptylamino)ethyl]-6-(furan-2-yl)-2-oxo-1H-pyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119619648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).