4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

C17H15N3O — CID 19895584

IUPAC4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(c2ccc(N)cn2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H15N3O/c1-17(2)8-14(15-5-4-12(19)10-20-15)13-7-11(9-18)3-6-16(13)21-17/h3-8,10H,19H2,1-2H3
InChIKeyIJIOCJHCTYJKHE-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.14
Rot. Bonds1

About 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile

4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (PubChem CID 19895584) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.

Molecular Properties

Compound Name4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
PubChem CID19895584
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
SMILESCC1(C)C=C(c2ccc(N)cn2)c2cc(C#N)ccc2O1
InChIInChI=1S/C17H15N3O/c1-17(2)8-14(15-5-4-12(19)10-20-15)13-7-11(9-18)3-6-16(13)21-17/h3-8,10H,19H2,1-2H3
InChIKeyIJIOCJHCTYJKHE-UHFFFAOYSA-N
XLogP3.14
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The IUPAC name of 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile (CID 19895584) is 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile.
What is the SMILES notation for 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The canonical SMILES for 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is CC1(C)C=C(c2ccc(N)cn2)c2cc(C#N)ccc2O1.
What is the InChIKey of 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
The InChIKey is IJIOCJHCTYJKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-17(2)8-14(15-5-4-12(19)10-20-15)13-7-11(9-18)3-6-16(13)21-17/h3-8,10H,19H2,1-2H3.
What are the key properties of 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile?
4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile has a molecular weight of 277.33 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile is sourced from PubChem (CID 19895584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).