6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide

C15H16N2O2 — CID 19939965

IUPAC6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide
SMILESCCNC(=O)C1=CC(C)(C)Oc2ccc(C#N)cc21
InChIInChI=1S/C15H16N2O2/c1-4-17-14(18)12-8-15(2,3)19-13-6-5-10(9-16)7-11(12)13/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyJYVMNGRNNJSUPC-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.25
Rot. Bonds2

About 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide

6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide (PubChem CID 19939965) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide.

Molecular Properties

Compound Name6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide
PubChem CID19939965
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide
SMILESCCNC(=O)C1=CC(C)(C)Oc2ccc(C#N)cc21
InChIInChI=1S/C15H16N2O2/c1-4-17-14(18)12-8-15(2,3)19-13-6-5-10(9-16)7-11(12)13/h5-8H,4H2,1-3H3,(H,17,18)
InChIKeyJYVMNGRNNJSUPC-UHFFFAOYSA-N
XLogP2.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-cyano-2,2-bis(trifluoromethyl)chromene-4-carboxylate
CID 139663405
4-(2-acetylpyrrol-1-yl)-2,2-dimethylchromene-6-carbonitrile
CID 15748996
2,2-dimethyl-4-pyridin-4-ylchromene-6-carbonitrile
CID 15681331
2-cyano-1-(6-cyano-2,2-dimethylchromen-4-yl)-1-methylguanidine
CID 88512223
N-[5-bromo-1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]acetamide
CID 22122714
4-(3,5-dichloro-4-oxo-1-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 14511115
4-(5-hydroxy-2-pyridinyl)-2,2-dimethylchromene-6-carbonitrile
CID 19895642
4-[5-(bromomethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 139649527
4-[4-(4-hydroxybutyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 19092511
4-[4-(1-hydroxy-2-trimethylsilylethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 19092583
4-[4-(2-hydroxyethyl)-2-oxopiperazin-1-yl]-2,2-dimethylchromene-6-carbonitrile;hydrochloride
CID 139667234
4-(1,1-dioxothiazinan-2-yl)-2,2-dimethylchromene-6-carbonitrile
CID 14511116

Frequently Asked Questions

What is the IUPAC name of 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide?
The IUPAC name of 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide (CID 19939965) is 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide.
What is the SMILES notation for 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide?
The canonical SMILES for 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide is CCNC(=O)C1=CC(C)(C)Oc2ccc(C#N)cc21.
What is the InChIKey of 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide?
The InChIKey is JYVMNGRNNJSUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-4-17-14(18)12-8-15(2,3)19-13-6-5-10(9-16)7-11(12)13/h5-8H,4H2,1-3H3,(H,17,18).
What are the key properties of 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide?
6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-N-ethyl-2,2-dimethylchromene-4-carboxamide is sourced from PubChem (CID 19939965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).