7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile

C18H18N4O — CID 91035780

IUPAC7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(N(C)C)ccc2C(c2ccc(C)nc2)C1C#N
InChIInChI=1S/C18H18N4O/c1-11-4-5-12(10-21-11)17-14-7-6-13(22(2)3)8-16(14)23-18(20)15(17)9-19/h4-8,10,15,17,20H,1-3H3/b20-18-
InChIKeyXDPCZRLDJSQLRI-ZZEZOPTASA-N
MW306.37 g/mol
LogP3.10
Rot. Bonds2

About 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile

7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile (PubChem CID 91035780) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile.

Molecular Properties

Compound Name7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile
PubChem CID91035780
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile
SMILES[H]/N=C1\Oc2cc(N(C)C)ccc2C(c2ccc(C)nc2)C1C#N
InChIInChI=1S/C18H18N4O/c1-11-4-5-12(10-21-11)17-14-7-6-13(22(2)3)8-16(14)23-18(20)15(17)9-19/h4-8,10,15,17,20H,1-3H3/b20-18-
InChIKeyXDPCZRLDJSQLRI-ZZEZOPTASA-N
XLogP3.10
TPSA73.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile?
The IUPAC name of 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile (CID 91035780) is 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile.
What is the SMILES notation for 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile?
The canonical SMILES for 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile is [H]/N=C1\Oc2cc(N(C)C)ccc2C(c2ccc(C)nc2)C1C#N.
What is the InChIKey of 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile?
The InChIKey is XDPCZRLDJSQLRI-ZZEZOPTASA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-4-5-12(10-21-11)17-14-7-6-13(22(2)3)8-16(14)23-18(20)15(17)9-19/h4-8,10,15,17,20H,1-3H3/b20-18-.
What are the key properties of 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile?
7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(dimethylamino)-2-imino-4-(6-methyl-3-pyridinyl)-3,4-dihydrochromene-3-carbonitrile is sourced from PubChem (CID 91035780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).