N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide

C20H23N3O — CID 171555060

IUPACN-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc(NC=O)cc2cn1)CCC
InChIInChI=1S/C20H23N3O/c1-5-7-14(3)8-15(4)18(6-2)19-9-16-12-22-20(23-13-24)10-17(16)11-21-19/h6,8-13H,3,5,7H2,1-2,4H3,(H,22,23,24)/b15-8-,18-6+
InChIKeyNCOSPJOTTZURKQ-DSEHZFEJSA-N
MW321.42 g/mol
LogP4.90
Rot. Bonds7

About N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide

N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide (PubChem CID 171555060) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide.

Molecular Properties

Compound NameN-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide
PubChem CID171555060
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc(NC=O)cc2cn1)CCC
InChIInChI=1S/C20H23N3O/c1-5-7-14(3)8-15(4)18(6-2)19-9-16-12-22-20(23-13-24)10-17(16)11-21-19/h6,8-13H,3,5,7H2,1-2,4H3,(H,22,23,24)/b15-8-,18-6+
InChIKeyNCOSPJOTTZURKQ-DSEHZFEJSA-N
XLogP4.90
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide?
The IUPAC name of N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide (CID 171555060) is N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide.
What is the SMILES notation for N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide?
The canonical SMILES for N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide is C=C(/C=C(C)\C(=C/C)c1cc2cnc(NC=O)cc2cn1)CCC.
What is the InChIKey of N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide?
The InChIKey is NCOSPJOTTZURKQ-DSEHZFEJSA-N. The full InChI is InChI=1S/C20H23N3O/c1-5-7-14(3)8-15(4)18(6-2)19-9-16-12-22-20(23-13-24)10-17(16)11-21-19/h6,8-13H,3,5,7H2,1-2,4H3,(H,22,23,24)/b15-8-,18-6+.
What are the key properties of N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide?
N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide has a molecular weight of 321.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide is sourced from PubChem (CID 171555060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).