N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide

C18H15N3O3 — CID 14182561

IUPACN-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide
SMILESCC1(C)C=C(n2cccc(NC=O)c2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C18H15N3O3/c1-18(2)9-15(13-8-12(10-19)5-6-16(13)24-18)21-7-3-4-14(17(21)23)20-11-22/h3-9,11H,1-2H3,(H,20,22)
InChIKeyTZRBMUBAEJBZFH-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.35
Rot. Bonds3

About N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide

N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide (PubChem CID 14182561) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide.

Molecular Properties

Compound NameN-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide
PubChem CID14182561
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide
SMILESCC1(C)C=C(n2cccc(NC=O)c2=O)c2cc(C#N)ccc2O1
InChIInChI=1S/C18H15N3O3/c1-18(2)9-15(13-8-12(10-19)5-6-16(13)24-18)21-7-3-4-14(17(21)23)20-11-22/h3-9,11H,1-2H3,(H,20,22)
InChIKeyTZRBMUBAEJBZFH-UHFFFAOYSA-N
XLogP2.35
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-acetylpyrrol-1-yl)-2,2-dimethylchromene-6-carbonitrile
CID 15748996
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-[4-(4-aminophenyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 67887923
4-[5-(bromomethyl)-2-oxo-1-pyridinyl]-2,2-dimethylchromene-6-carbonitrile
CID 139649527
2,2-dimethyl-4-[2-oxo-4-(phenylmethoxymethyl)-1-pyridinyl]chromene-6-carbonitrile
CID 19092554
N-[1-(7-cyano-3,3-dimethyl-4H-naphthalen-1-yl)-2-oxo-3-pyridinyl]acetamide
CID 19887455
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-(2-oxo-1-pyridinyl)spiro[chromene-2,1'-cyclobutane]-6-carbonitrile
CID 19347964
2,2-dimethyl-4-(5-oxo-6-sulfanylidene-2H-pyridin-1-yl)chromene-6-carbonitrile
CID 22122760
2-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-4-pyridinyl]ethyl methanesulfonate
CID 19092598

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide?
The IUPAC name of N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide (CID 14182561) is N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide.
What is the SMILES notation for N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide?
The canonical SMILES for N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide is CC1(C)C=C(n2cccc(NC=O)c2=O)c2cc(C#N)ccc2O1.
What is the InChIKey of N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide?
The InChIKey is TZRBMUBAEJBZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-18(2)9-15(13-8-12(10-19)5-6-16(13)24-18)21-7-3-4-14(17(21)23)20-11-22/h3-9,11H,1-2H3,(H,20,22).
What are the key properties of N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide?
N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide has a molecular weight of 321.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-cyano-2,2-dimethylchromen-4-yl)-2-oxo-3-pyridinyl]formamide is sourced from PubChem (CID 14182561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).