7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide

C18H17N3O3 — CID 90355766

IUPAC7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide
SMILESNC(=O)C1=C(C(N)=O)C(Cc2ccncc2)Cc2ccc(O)cc21
InChIInChI=1S/C18H17N3O3/c19-17(23)15-12(7-10-3-5-21-6-4-10)8-11-1-2-13(22)9-14(11)16(15)18(20)24/h1-6,9,12,22H,7-8H2,(H2,19,23)(H2,20,24)
InChIKeySRHDOHWOQJCXNT-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.93
Rot. Bonds4

About 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide

7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide (PubChem CID 90355766) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide.

Molecular Properties

Compound Name7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide
PubChem CID90355766
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide
SMILESNC(=O)C1=C(C(N)=O)C(Cc2ccncc2)Cc2ccc(O)cc21
InChIInChI=1S/C18H17N3O3/c19-17(23)15-12(7-10-3-5-21-6-4-10)8-11-1-2-13(22)9-14(11)16(15)18(20)24/h1-6,9,12,22H,7-8H2,(H2,19,23)(H2,20,24)
InChIKeySRHDOHWOQJCXNT-UHFFFAOYSA-N
XLogP0.93
TPSA119.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide?
The IUPAC name of 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide (CID 90355766) is 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide.
What is the SMILES notation for 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide?
The canonical SMILES for 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide is NC(=O)C1=C(C(N)=O)C(Cc2ccncc2)Cc2ccc(O)cc21.
What is the InChIKey of 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide?
The InChIKey is SRHDOHWOQJCXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c19-17(23)15-12(7-10-3-5-21-6-4-10)8-11-1-2-13(22)9-14(11)16(15)18(20)24/h1-6,9,12,22H,7-8H2,(H2,19,23)(H2,20,24).
What are the key properties of 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide?
7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide has a molecular weight of 323.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(pyridin-4-ylmethyl)-3,4-dihydronaphthalene-1,2-dicarboxamide is sourced from PubChem (CID 90355766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).