2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile

C19H18N3+ — CID 6952838

IUPAC2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile
SMILESCCc1[nH+]c(N)c(C#N)c(-c2cccc3ccccc23)c1C
InChIInChI=1S/C19H17N3/c1-3-17-12(2)18(16(11-20)19(21)22-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3H2,1-2H3,(H2,21,22)/p+1
InChIKeyPBJCBXJZXYSMTO-UHFFFAOYSA-O
MW288.37 g/mol
LogP3.65
Rot. Bonds2

About 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile

2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile (PubChem CID 6952838) has the molecular formula C19H18N3+ and a molecular weight of 288.37 g/mol. Its IUPAC name is 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile
PubChem CID6952838
Molecular FormulaC19H18N3+
Molecular Weight288.37 g/mol
Exact Mass288.15
IUPAC Name2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile
SMILESCCc1[nH+]c(N)c(C#N)c(-c2cccc3ccccc23)c1C
InChIInChI=1S/C19H17N3/c1-3-17-12(2)18(16(11-20)19(21)22-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3H2,1-2H3,(H2,21,22)/p+1
InChIKeyPBJCBXJZXYSMTO-UHFFFAOYSA-O
XLogP3.65
TPSA63.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-4-(2-chlorophenyl)-5-methyl-6-[(2R)-2-methylbutyl]pyridin-1-ium-3-carbonitrile
CID 7324662
2-amino-4-(3-ethoxy-4-hydroxyphenyl)-6-ethyl-5-methylpyridin-1-ium-3-carbonitrile
CID 6951887
4,5-dimethyl-1-naphthalen-1-ylnaphthalene-2,3-diamine
CID 172847856
4,5-dimethyl-3-naphthalen-1-ylthiophen-2-amine
CID 90878516
3-(1-naphthalen-1-ylnaphthalen-2-yl)benzene-1,2-dicarbonitrile
CID 175833968
2-fluoro-6-naphthalen-1-ylbenzonitrile
CID 114898445
4,6-di(carbazol-9-yl)-2,5-dinaphthalen-1-ylbenzene-1,3-dicarbonitrile
CID 164819632
2-tert-butyl-6-naphthalen-1-ylbenzonitrile
CID 90264129
2-amino-4-(3-bromophenyl)-5-ethyl-6-propylpyridin-1-ium-3-carbonitrile
CID 6925430
10-naphthalen-1-ylanthracen-9-amine
CID 126729232
4,6-dimethyl-2-(naphthalen-1-ylamino)pyridin-1-ium-3-carbonitrile
CID 3269661
2-amino-4-anthracen-9-yl-6-(4-methylphenyl)benzene-1,3-dicarbonitrile
CID 3121095

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile?
The IUPAC name of 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile (CID 6952838) is 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile.
What is the SMILES notation for 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile?
The canonical SMILES for 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile is CCc1[nH+]c(N)c(C#N)c(-c2cccc3ccccc23)c1C.
What is the InChIKey of 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile?
The InChIKey is PBJCBXJZXYSMTO-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17N3/c1-3-17-12(2)18(16(11-20)19(21)22-17)15-10-6-8-13-7-4-5-9-14(13)15/h4-10H,3H2,1-2H3,(H2,21,22)/p+1.
What are the key properties of 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile?
2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile has a molecular weight of 288.37 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-ethyl-5-methyl-4-naphthalen-1-ylpyridin-1-ium-3-carbonitrile is sourced from PubChem (CID 6952838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).