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

C25H29N5O5 — CID 10719471

IUPACN-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc3cnc(N(C(C)=O)C(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H29N5O5/c1-14(31)30(15(2)32)22-12-21-17(13-26-22)10-20(16-8-18(34-6)11-19(9-16)35-7)23(27-21)28-24(33)29-25(3,4)5/h8-13H,1-7H3,(H2,27,28,29,33)
InChIKeyFNSIMPHDMAYHJF-UHFFFAOYSA-N
MW479.54 g/mol
LogP4.13
Rot. Bonds5

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

N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide (PubChem CID 10719471) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
PubChem CID10719471
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC NameN-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide
SMILESCOc1cc(OC)cc(-c2cc3cnc(N(C(C)=O)C(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C25H29N5O5/c1-14(31)30(15(2)32)22-12-21-17(13-26-22)10-20(16-8-18(34-6)11-19(9-16)35-7)23(27-21)28-24(33)29-25(3,4)5/h8-13H,1-7H3,(H2,27,28,29,33)
InChIKeyFNSIMPHDMAYHJF-UHFFFAOYSA-N
XLogP4.13
TPSA122.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[acetyl-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]amino]propyl methanesulfonate
CID 11786468
1-tert-butyl-3-[6-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)pyrido[2,3-d]pyrimidin-7-yl]urea
CID 164788075
3-[[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]amino]propyl benzoate
CID 11432915
1-[2-[4-(2-aminoethoxy)anilino]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 58640944
CID 90084789
CID 90084789
tert-butyl 2-[4-[3-[[7-(tert-butylcarbamoylamino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]propyl]piperazin-1-yl]acetate
CID 155194291
7-N-[1-(tert-butylamino)ethenyl]-2-N-[4-(diethylamino)butyl]-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine
CID 130413648
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975
N-[4-[[7-(tert-butylcarbamoylamino)-6-(3,5-dimethoxyphenyl)pyrido[2,3-d]pyrimidin-2-yl]amino]butyl]-9-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxynonanamide
CID 155194257
1-tert-butyl-3-[6-(2,6-dichlorophenyl)-2-methylsulfanylpyrido[2,3-d]pyrimidin-7-yl]urea
CID 66929485
N-tert-butyl-6-methoxy-3-phenylisoquinoline-4-carboxamide
CID 102496386
1-(2-amino-6-bromopyrido[2,3-d]pyrimidin-7-yl)-3-tert-butylurea
CID 141037396

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide (CID 10719471) is N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide is COc1cc(OC)cc(-c2cc3cnc(N(C(C)=O)C(C)=O)cc3nc2NC(=O)NC(C)(C)C)c1.
What is the InChIKey of N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is FNSIMPHDMAYHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-14(31)30(15(2)32)22-12-21-17(13-26-22)10-20(16-8-18(34-6)11-19(9-16)35-7)23(27-21)28-24(33)29-25(3,4)5/h8-13H,1-7H3,(H2,27,28,29,33).
What are the key properties of N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide?
N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 479.54 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[2-(tert-butylcarbamoylamino)-3-(3,5-dimethoxyphenyl)-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 10719471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).