2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile

C18H18N4O — CID 11324224

IUPAC2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile
SMILESCc1cncc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C18H18N4O/c1-11-6-12(10-21-9-11)17-14-5-4-13(22(2)3)7-16(14)23-18(20)15(17)8-19/h4-7,9-10,17H,20H2,1-3H3
InChIKeyUUKJEMKPYMGHDC-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.67
Rot. Bonds2

About 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile

2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile (PubChem CID 11324224) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile
PubChem CID11324224
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile
SMILESCc1cncc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1
InChIInChI=1S/C18H18N4O/c1-11-6-12(10-21-9-11)17-14-5-4-13(22(2)3)7-16(14)23-18(20)15(17)8-19/h4-7,9-10,17H,20H2,1-3H3
InChIKeyUUKJEMKPYMGHDC-UHFFFAOYSA-N
XLogP2.67
TPSA75.17 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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile?
The IUPAC name of 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile (CID 11324224) is 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile.
What is the SMILES notation for 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile?
The canonical SMILES for 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile is Cc1cncc(C2C(C#N)=C(N)Oc3cc(N(C)C)ccc32)c1.
What is the InChIKey of 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile?
The InChIKey is UUKJEMKPYMGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-11-6-12(10-21-9-11)17-14-5-4-13(22(2)3)7-16(14)23-18(20)15(17)8-19/h4-7,9-10,17H,20H2,1-3H3.
What are the key properties of 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile?
2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-(dimethylamino)-4-(5-methyl-3-pyridinyl)-4H-chromene-3-carbonitrile is sourced from PubChem (CID 11324224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).