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(4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide

C27H22N4O2 — CID 156819318

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide
SMILESC[C@@]1(C#N)CCOc2ccc(C(=O)NCc3cc4nc(-c5ccccc5)ccc4cn3)cc21
InChIInChI=1S/C27H22N4O2/c1-27(17-28)11-12-33-25-10-8-19(13-22(25)27)26(32)30-16-21-14-24-20(15-29-21)7-9-23(31-24)18-5-3-2-4-6-18/h2-10,13-15H,11-12,16H2,1H3,(H,30,32)/t27-/m0/s1
InChIKeyNOCBNMKJCRDKNZ-MHZLTWQESA-N
MW434.50 g/mol
LogP4.79
Rot. Bonds4

About (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide

(4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide (PubChem CID 156819318) has the molecular formula C27H22N4O2 and a molecular weight of 434.50 g/mol. Its IUPAC name is (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide.

Molecular Properties

Compound Name(4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide
PubChem CID156819318
Molecular FormulaC27H22N4O2
Molecular Weight434.50 g/mol
Exact Mass434.17
IUPAC Name(4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide
SMILESC[C@@]1(C#N)CCOc2ccc(C(=O)NCc3cc4nc(-c5ccccc5)ccc4cn3)cc21
InChIInChI=1S/C27H22N4O2/c1-27(17-28)11-12-33-25-10-8-19(13-22(25)27)26(32)30-16-21-14-24-20(15-29-21)7-9-23(31-24)18-5-3-2-4-6-18/h2-10,13-15H,11-12,16H2,1H3,(H,30,32)/t27-/m0/s1
InChIKeyNOCBNMKJCRDKNZ-MHZLTWQESA-N
XLogP4.79
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide?
The IUPAC name of (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide (CID 156819318) is (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide.
What is the SMILES notation for (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide?
The canonical SMILES for (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide is C[C@@]1(C#N)CCOc2ccc(C(=O)NCc3cc4nc(-c5ccccc5)ccc4cn3)cc21.
What is the InChIKey of (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide?
The InChIKey is NOCBNMKJCRDKNZ-MHZLTWQESA-N. The full InChI is InChI=1S/C27H22N4O2/c1-27(17-28)11-12-33-25-10-8-19(13-22(25)27)26(32)30-16-21-14-24-20(15-29-21)7-9-23(31-24)18-5-3-2-4-6-18/h2-10,13-15H,11-12,16H2,1H3,(H,30,32)/t27-/m0/s1.
What are the key properties of (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide?
(4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-cyano-4-methyl-N-[(2-phenyl-1,6-naphthyridin-7-yl)methyl]-2,3-dihydrochromene-6-carboxamide is sourced from PubChem (CID 156819318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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