8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide

C17H19BrN4O2 — CID 167758389

IUPAC8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide
SMILESCCC1(CC)CNC(=O)C1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C17H19BrN4O2/c1-3-17(4-2)9-20-16(24)14(17)22-15(23)12-6-5-10-7-19-8-11(18)13(10)21-12/h5-8,14H,3-4,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyOCVZHNPCBQCUDM-UHFFFAOYSA-N
MW391.27 g/mol
LogP2.43
Rot. Bonds4

About 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide

8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide (PubChem CID 167758389) has the molecular formula C17H19BrN4O2 and a molecular weight of 391.27 g/mol. Its IUPAC name is 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide
PubChem CID167758389
Molecular FormulaC17H19BrN4O2
Molecular Weight391.27 g/mol
Exact Mass390.07
IUPAC Name8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide
SMILESCCC1(CC)CNC(=O)C1NC(=O)c1ccc2cncc(Br)c2n1
InChIInChI=1S/C17H19BrN4O2/c1-3-17(4-2)9-20-16(24)14(17)22-15(23)12-6-5-10-7-19-8-11(18)13(10)21-12/h5-8,14H,3-4,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyOCVZHNPCBQCUDM-UHFFFAOYSA-N
XLogP2.43
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.27
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-N-(2,2-dimethylcyclopentyl)-1,6-naphthyridine-2-carboxamide
CID 167795548
8-bromo-N-(4-hydroxy-3-methylcyclohexyl)-1,6-naphthyridine-2-carboxamide
CID 167884262
8-bromo-N-[4-(hydroxymethyl)piperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167886309
N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1-methyl-3-pyridin-4-ylpyrazole-5-carboxamide
CID 164639066
8-bromo-N-[(1R,2R)-2-[(2,6-dimethylbenzoyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167896791
8-bromo-N-[(1R,2R)-2-[(2-methylcyclohexene-1-carbonyl)amino]cyclohexyl]-1,6-naphthyridine-2-carboxamide
CID 167823498
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-4-yl)-8-bromo-1,6-naphthyridine-2-carboxamide
CID 167924565
8-bromo-N-[1-[(E)-2,3-dimethylpent-2-enoyl]-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167777314
N-[(3S)-4,4-diethyl-2-oxopyrrolidin-3-yl]-1,2-benzothiazole-3-carboxamide
CID 164637801
8-bromo-N-[1-(4-fluorobenzoyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167988612
8-bromo-N-[1-(5-bromo-4-methylpyridine-3-carbonyl)-4-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167926638
8-bromo-N-[(2R,3R)-1-(1,3-dithiolane-2-carbonyl)-2-methylpiperidin-3-yl]-1,6-naphthyridine-2-carboxamide
CID 167764026

Frequently Asked Questions

What is the IUPAC name of 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide (CID 167758389) is 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide is CCC1(CC)CNC(=O)C1NC(=O)c1ccc2cncc(Br)c2n1.
What is the InChIKey of 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is OCVZHNPCBQCUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN4O2/c1-3-17(4-2)9-20-16(24)14(17)22-15(23)12-6-5-10-7-19-8-11(18)13(10)21-12/h5-8,14H,3-4,9H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide?
8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 391.27 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-N-(4,4-diethyl-2-oxopyrrolidin-3-yl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 167758389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).