tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate

C22H25N5O3 — CID 67985125

IUPACtert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate
SMILESCNC(=O)c1c(-c2ccccn2)c(C(C)NC(=O)OC(C)(C)C)nc2ncccc12
InChIInChI=1S/C22H25N5O3/c1-13(26-21(29)30-22(2,3)4)18-17(15-10-6-7-11-24-15)16(20(28)23-5)14-9-8-12-25-19(14)27-18/h6-13H,1-5H3,(H,23,28)(H,26,29)
InChIKeyGEASZGZAUOMGNW-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.64
Rot. Bonds4

About tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate

tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate (PubChem CID 67985125) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate
PubChem CID67985125
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Nametert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate
SMILESCNC(=O)c1c(-c2ccccn2)c(C(C)NC(=O)OC(C)(C)C)nc2ncccc12
InChIInChI=1S/C22H25N5O3/c1-13(26-21(29)30-22(2,3)4)18-17(15-10-6-7-11-24-15)16(20(28)23-5)14-9-8-12-25-19(14)27-18/h6-13H,1-5H3,(H,23,28)(H,26,29)
InChIKeyGEASZGZAUOMGNW-UHFFFAOYSA-N
XLogP3.64
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate (CID 67985125) is tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate is CNC(=O)c1c(-c2ccccn2)c(C(C)NC(=O)OC(C)(C)C)nc2ncccc12.
What is the InChIKey of tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate?
The InChIKey is GEASZGZAUOMGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-13(26-21(29)30-22(2,3)4)18-17(15-10-6-7-11-24-15)16(20(28)23-5)14-9-8-12-25-19(14)27-18/h6-13H,1-5H3,(H,23,28)(H,26,29).
What are the key properties of tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate?
tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate has a molecular weight of 407.47 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(methylcarbamoyl)-3-pyridin-2-yl-1,8-naphthyridin-2-yl]ethyl]carbamate is sourced from PubChem (CID 67985125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).