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Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate

C23H28N4O4 — CID 135637963

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(NC(=O)C(Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C23H28N4O4/c1-23(2,3)31-22(29)26-18(21(28)25-16-10-11-20(30-5)24-13-16)12-15-14-27(4)19-9-7-6-8-17(15)19/h6-11,13-14,18H,12H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyPTOKKWQSVZTFKV-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.66
Rot. Bonds6

About Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate

Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 135637963) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound NameTert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
PubChem CID135637963
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC Nametert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate
SMILESCOc1ccc(NC(=O)C(Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cn1
InChIInChI=1S/C23H28N4O4/c1-23(2,3)31-22(29)26-18(21(28)25-16-10-11-20(30-5)24-13-16)12-15-14-27(4)19-9-7-6-8-17(15)19/h6-11,13-14,18H,12H2,1-5H3,(H,25,28)(H,26,29)
InChIKeyPTOKKWQSVZTFKV-UHFFFAOYSA-N
XLogP3.66
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.66
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-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate (CID 135637963) is tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate is COc1ccc(NC(=O)C(Cc2cn(C)c3ccccc23)NC(=O)OC(C)(C)C)cn1.
What is the InChIKey of Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is PTOKKWQSVZTFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-23(2,3)31-22(29)26-18(21(28)25-16-10-11-20(30-5)24-13-16)12-15-14-27(4)19-9-7-6-8-17(15)19/h6-11,13-14,18H,12H2,1-5H3,(H,25,28)(H,26,29).
What are the key properties of Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate?
Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 424.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-[1-[(6-methoxy-3-pyridinyl)amino]-3-(1-methylindol-3-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 135637963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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