bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

C31H43N3O — CID 171555284

IUPACbicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESC/C=C(C(\C)=C/CCCC)/c1cc2cnc(NC(=O)C34CC(C3)C4)cc2cn1.C1C2CC1C2.CC
InChIInChI=1S/C24H29N3O.C5H8.C2H6/c1-4-6-7-8-16(3)20(5-2)21-9-18-15-26-22(10-19(18)14-25-21)27-23(28)24-11-17(12-24)13-24;1-4-2-5(1)3-4;1-2/h5,8-10,14-15,17H,4,6-7,11-13H2,1-3H3,(H,26,27,28);4-5H,1-3H2;1-2H3/b16-8-,20-5+;;
InChIKeyXRLAUZFVKDZVDG-FSQPLQGDSA-N
MW473.71 g/mol
LogP8.35
Rot. Bonds7

About bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide

bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (PubChem CID 171555284) has the molecular formula C31H43N3O and a molecular weight of 473.71 g/mol. Its IUPAC name is bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.

Molecular Properties

Compound Namebicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
PubChem CID171555284
Molecular FormulaC31H43N3O
Molecular Weight473.71 g/mol
Exact Mass473.34
IUPAC Namebicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
SMILESC/C=C(C(\C)=C/CCCC)/c1cc2cnc(NC(=O)C34CC(C3)C4)cc2cn1.C1C2CC1C2.CC
InChIInChI=1S/C24H29N3O.C5H8.C2H6/c1-4-6-7-8-16(3)20(5-2)21-9-18-15-26-22(10-19(18)14-25-21)27-23(28)24-11-17(12-24)13-24;1-4-2-5(1)3-4;1-2/h5,8-10,14-15,17H,4,6-7,11-13H2,1-3H3,(H,26,27,28);4-5H,1-3H2;1-2H3/b16-8-,20-5+;;
InChIKeyXRLAUZFVKDZVDG-FSQPLQGDSA-N
XLogP8.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.71
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide with MolForge

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Related Compounds

N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556154
N-[7-[(2E,4Z,6Z)-6-(1-hydroxycyclobutyl)-4,7-dimethylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]acetamide
CID 171555303
2-fluoro-N-[7-[(2E,4Z,6Z)-6-(1-hydroxy-2-methylsulfanylethyl)-4-methylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 171555953
butane;ethane;1-ethyl-3-[7-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]urea
CID 171556238
N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555460
N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide
CID 171555060
1-[7-[(2E,4Z,6Z)-4,7-dimethyl-6-propanoylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]-3-ethylurea
CID 171555065
N-(5-fluoro-4-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 169060079
cyclopropane;N-[7-[(2E,4Z,6Z)-6-(1-hydroxy-2-methylsulfanylethyl)-4-methylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]formamide
CID 171556174
N-[5-cyclopropyl-7-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555854
N-[5-cyclopropyl-7-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenedeca-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide;ethane
CID 171556014
N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364

Frequently Asked Questions

What is the IUPAC name of bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The IUPAC name of bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide (CID 171555284) is bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide.
What is the SMILES notation for bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The canonical SMILES for bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is C/C=C(C(\C)=C/CCCC)/c1cc2cnc(NC(=O)C34CC(C3)C4)cc2cn1.C1C2CC1C2.CC.
What is the InChIKey of bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
The InChIKey is XRLAUZFVKDZVDG-FSQPLQGDSA-N. The full InChI is InChI=1S/C24H29N3O.C5H8.C2H6/c1-4-6-7-8-16(3)20(5-2)21-9-18-15-26-22(10-19(18)14-25-21)27-23(28)24-11-17(12-24)13-24;1-4-2-5(1)3-4;1-2/h5,8-10,14-15,17H,4,6-7,11-13H2,1-3H3,(H,26,27,28);4-5H,1-3H2;1-2H3/b16-8-,20-5+;;.
What are the key properties of bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide?
bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide has a molecular weight of 473.71 g/mol, XLogP of 8.35, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide is sourced from PubChem (CID 171555284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).