N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide

C23H27N5O4 — CID 5329001

IUPACN-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc3cnc(NC(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H27N5O4/c1-13(29)25-20-11-19-15(12-24-20)9-18(14-7-16(31-5)10-17(8-14)32-6)21(26-19)27-22(30)28-23(2,3)4/h7-12H,1-6H3,(H,24,25,29)(H2,26,27,28,30)
InChIKeyFEFTTWZZDJMATO-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.19
Rot. Bonds5

About N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide

N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide (PubChem CID 5329001) has the molecular formula C23H27N5O4 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
PubChem CID5329001
Molecular FormulaC23H27N5O4
Molecular Weight437.50 g/mol
Exact Mass437.21
IUPAC NameN-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc3cnc(NC(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C23H27N5O4/c1-13(29)25-20-11-19-15(12-24-20)9-18(14-7-16(31-5)10-17(8-14)32-6)21(26-19)27-22(30)28-23(2,3)4/h7-12H,1-6H3,(H,24,25,29)(H2,26,27,28,30)
InChIKeyFEFTTWZZDJMATO-UHFFFAOYSA-N
XLogP4.19
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide (CID 5329001) is N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide is COc1cc(OC)cc(-c2cc3cnc(NC(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is FEFTTWZZDJMATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O4/c1-13(29)25-20-11-19-15(12-24-20)9-18(14-7-16(31-5)10-17(8-14)32-6)21(26-19)27-22(30)28-23(2,3)4/h7-12H,1-6H3,(H,24,25,29)(H2,26,27,28,30).
What are the key properties of N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 437.50 g/mol, XLogP of 4.19, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 5329001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).