8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide

C18H17N3O2 — CID 75203883

IUPAC8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCC(C)Oc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1
InChIInChI=1S/C18H17N3O2/c1-11(2)23-14-6-3-12(4-7-14)15-10-20-9-13-5-8-16(18(19)22)21-17(13)15/h3-11H,1-2H3,(H2,19,22)
InChIKeyGGMBKDYSACFVPQ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.18
Rot. Bonds4

About 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide

8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 75203883) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide
PubChem CID75203883
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide
SMILESCC(C)Oc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1
InChIInChI=1S/C18H17N3O2/c1-11(2)23-14-6-3-12(4-7-14)15-10-20-9-13-5-8-16(18(19)22)21-17(13)15/h3-11H,1-2H3,(H2,19,22)
InChIKeyGGMBKDYSACFVPQ-UHFFFAOYSA-N
XLogP3.18
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide?
The IUPAC name of 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide (CID 75203883) is 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide is CC(C)Oc1ccc(-c2cncc3ccc(C(N)=O)nc23)cc1.
What is the InChIKey of 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide?
The InChIKey is GGMBKDYSACFVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11(2)23-14-6-3-12(4-7-14)15-10-20-9-13-5-8-16(18(19)22)21-17(13)15/h3-11H,1-2H3,(H2,19,22).
What are the key properties of 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide?
8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 307.35 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-propan-2-yloxyphenyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 75203883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).