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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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).