tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate

C19H21N5O4 — CID 24900747

IUPACtert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21
InChIInChI=1S/C19H21N5O4/c1-19(2,3)28-18(27)22-9-14(25)24-13-7-5-4-6-10(13)11-8-12(16(21)26)15(20)23-17(11)24/h4-8H,9H2,1-3H3,(H2,20,23)(H2,21,26)(H,22,27)
InChIKeyOSITWUAVOCTMAE-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.04
Rot. Bonds3

About tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate

tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate (PubChem CID 24900747) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate
PubChem CID24900747
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Nametert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21
InChIInChI=1S/C19H21N5O4/c1-19(2,3)28-18(27)22-9-14(25)24-13-7-5-4-6-10(13)11-8-12(16(21)26)15(20)23-17(11)24/h4-8H,9H2,1-3H3,(H2,20,23)(H2,21,26)(H,22,27)
InChIKeyOSITWUAVOCTMAE-UHFFFAOYSA-N
XLogP2.04
TPSA142.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

2-amino-9-(2-phenylmethoxyacetyl)pyrido[2,3-b]indole-3-carboxamide;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate;methyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propyl]carbamate
CID 159286694
1-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)propan-2-yl-tert-butylcarbamic acid
CID 66676403
2-amino-9-(2-piperidin-1-ylethyl)pyrido[2,3-b]indole-3-carboxamide
CID 143530155
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]indole-1-carboxylate
CID 11326301
naphthalen-2-yl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 57153097
tert-butyl N-[2-(benzylamino)-2-oxoethyl]carbamate;methanamine
CID 145259972
tert-butyl N-[2-[(2-carbamoylphenyl)carbamoylamino]ethyl]carbamate
CID 108864505
2-amino-9-(2-amino-2-oxoethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-benzoylpyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-hydroxyethyl)pyrido[2,3-b]indole-3-carboxamide;2-amino-9-(2-methylpyridine-3-carbonyl)pyrido[2,3-b]indole-3-carboxamide
CID 160741702
9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide
CID 71173807
tert-butyl N-[2-[2-(2-aminobenzimidazol-1-yl)ethoxy]ethyl]carbamate
CID 166454289
tert-butyl N-[2-(7-methoxy-12,14-dioxo-3,13,16-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1(23),2(10),4(9),5,7,11(15),17,19,21-nonaen-3-yl)-2-oxoethyl]carbamate
CID 10207808
tert-butyl N-[2-(3-iodoindazol-1-yl)ethyl]carbamate
CID 138461102

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate (CID 24900747) is tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)n1c2ccccc2c2cc(C(N)=O)c(N)nc21.
What is the InChIKey of tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate?
The InChIKey is OSITWUAVOCTMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-19(2,3)28-18(27)22-9-14(25)24-13-7-5-4-6-10(13)11-8-12(16(21)26)15(20)23-17(11)24/h4-8H,9H2,1-3H3,(H2,20,23)(H2,21,26)(H,22,27).
What are the key properties of tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate?
tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate has a molecular weight of 383.41 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-amino-3-carbamoylpyrido[2,3-b]indol-9-yl)-2-oxoethyl]carbamate is sourced from PubChem (CID 24900747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).