2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide

C18H18FN3O3 — CID 119165389

IUPAC2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(C(N)=O)cn2)c2ccc(F)cc2O1
InChIInChI=1S/C18H18FN3O3/c1-18(2)8-14(12-5-4-11(19)7-15(12)25-18)22-17(24)13-6-3-10(9-21-13)16(20)23/h3-7,9,14H,8H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyUEURWYFRHDUCKE-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.35
Rot. Bonds3

About 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide

2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide (PubChem CID 119165389) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide.

Molecular Properties

Compound Name2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
PubChem CID119165389
Molecular FormulaC18H18FN3O3
Molecular Weight343.36 g/mol
Exact Mass343.13
IUPAC Name2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide
SMILESCC1(C)CC(NC(=O)c2ccc(C(N)=O)cn2)c2ccc(F)cc2O1
InChIInChI=1S/C18H18FN3O3/c1-18(2)8-14(12-5-4-11(19)7-15(12)25-18)22-17(24)13-6-3-10(9-21-13)16(20)23/h3-7,9,14H,8H2,1-2H3,(H2,20,23)(H,22,24)
InChIKeyUEURWYFRHDUCKE-UHFFFAOYSA-N
XLogP2.35
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide?
The IUPAC name of 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide (CID 119165389) is 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide.
What is the SMILES notation for 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide?
The canonical SMILES for 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide is CC1(C)CC(NC(=O)c2ccc(C(N)=O)cn2)c2ccc(F)cc2O1.
What is the InChIKey of 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide?
The InChIKey is UEURWYFRHDUCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O3/c1-18(2)8-14(12-5-4-11(19)7-15(12)25-18)22-17(24)13-6-3-10(9-21-13)16(20)23/h3-7,9,14H,8H2,1-2H3,(H2,20,23)(H,22,24).
What are the key properties of 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide?
2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide has a molecular weight of 343.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)pyridine-2,5-dicarboxamide is sourced from PubChem (CID 119165389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).