7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine

C20H25N3 — CID 123904637

IUPAC7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine
SMILESC=CC/C(C)=C\C(=C)/N=c1/cc2ccn(CC)c(C)c-2c(C)n1
InChIInChI=1S/C20H25N3/c1-7-9-14(3)12-15(4)21-19-13-18-10-11-23(8-2)17(6)20(18)16(5)22-19/h7,10-13H,1,4,8-9H2,2-3,5-6H3/b14-12-,21-19-
InChIKeyRDUZBXMYVFLPSF-CFLPNQBOSA-N
MW307.44 g/mol
LogP4.56
Rot. Bonds5

About 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine

7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine (PubChem CID 123904637) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine.

Molecular Properties

Compound Name7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine
PubChem CID123904637
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine
SMILESC=CC/C(C)=C\C(=C)/N=c1/cc2ccn(CC)c(C)c-2c(C)n1
InChIInChI=1S/C20H25N3/c1-7-9-14(3)12-15(4)21-19-13-18-10-11-23(8-2)17(6)20(18)16(5)22-19/h7,10-13H,1,4,8-9H2,2-3,5-6H3/b14-12-,21-19-
InChIKeyRDUZBXMYVFLPSF-CFLPNQBOSA-N
XLogP4.56
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Diethylamino-3h-acridine
CID 137346134
7-butyl-4H-pyrido[1,2-a]pyrimidine
CID 20348005
(E)-1,5,6-trimethyl-N-[(E)-(1,2,3-trimethyl-4-pyridinylidene)amino]pyridin-2-imine
CID 59873756
N,N,7-trimethyl-8-methylimino-4,9-dihydroquinolizin-1-amine
CID 90851840
(Z)-1,5,6-trimethyl-N-[(Z)-(1,2,3-trimethyl-4-pyridinylidene)amino]pyridin-2-imine
CID 91491908
2-ethenyl-N-methylisoquinolin-3-imine
CID 118303833
1-ethyl-3,6-dimethyl-3H-pyrido[1,2-c]pyrimidine
CID 123161013
5-methyl-6-methylidene-2-[(3E)-penta-1,3-dien-3-yl]-2,3-dihydro-1,5-naphthyridine
CID 130443356
3,5-bis[(1Z)-buta-1,3-dienyl]-N,1,4,6-tetrakis(ethenyl)pyridin-2-imine
CID 134387420
3,6-bis[(1Z)-buta-1,3-dienyl]-N,1,4,5-tetrakis(ethenyl)pyridin-2-imine
CID 134420160
(3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine
CID 134484536
3-[(1Z)-buta-1,3-dienyl]-N,1,5-tris(ethenyl)-4-methyl-6-[(Z)-prop-1-enyl]pyridin-2-imine
CID 134557797

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine?
The IUPAC name of 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine (CID 123904637) is 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine.
What is the SMILES notation for 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine?
The canonical SMILES for 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine is C=CC/C(C)=C\C(=C)/N=c1/cc2ccn(CC)c(C)c-2c(C)n1.
What is the InChIKey of 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine?
The InChIKey is RDUZBXMYVFLPSF-CFLPNQBOSA-N. The full InChI is InChI=1S/C20H25N3/c1-7-9-14(3)12-15(4)21-19-13-18-10-11-23(8-2)17(6)20(18)16(5)22-19/h7,10-13H,1,4,8-9H2,2-3,5-6H3/b14-12-,21-19-.
What are the key properties of 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine?
7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine has a molecular weight of 307.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine is sourced from PubChem (CID 123904637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).