5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide

C19H23N3O — CID 51039736

IUPAC5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ncccn3)ccc21
InChIInChI=1S/C19H23N3O/c1-18(2)8-9-19(3,4)15-12-13(6-7-14(15)18)16(23)22-17-20-10-5-11-21-17/h5-7,10-12H,8-9H2,1-4H3,(H,20,21,22,23)
InChIKeyDPGXWNIFIJBZSO-UHFFFAOYSA-N
MW309.41 g/mol
LogP4.08
Rot. Bonds2

About 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide

5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide (PubChem CID 51039736) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide
PubChem CID51039736
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide
SMILESCC1(C)CCC(C)(C)c2cc(C(=O)Nc3ncccn3)ccc21
InChIInChI=1S/C19H23N3O/c1-18(2)8-9-19(3,4)15-12-13(6-7-14(15)18)16(23)22-17-20-10-5-11-21-17/h5-7,10-12H,8-9H2,1-4H3,(H,20,21,22,23)
InChIKeyDPGXWNIFIJBZSO-UHFFFAOYSA-N
XLogP4.08
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide?
The IUPAC name of 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide (CID 51039736) is 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide?
The canonical SMILES for 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide is CC1(C)CCC(C)(C)c2cc(C(=O)Nc3ncccn3)ccc21.
What is the InChIKey of 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide?
The InChIKey is DPGXWNIFIJBZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-18(2)8-9-19(3,4)15-12-13(6-7-14(15)18)16(23)22-17-20-10-5-11-21-17/h5-7,10-12H,8-9H2,1-4H3,(H,20,21,22,23).
What are the key properties of 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide?
5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,8,8-tetramethyl-N-pyrimidin-2-yl-6,7-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 51039736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).