tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate

C17H18N4O2 — CID 86671106

IUPACtert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C17H18N4O2/c1-17(2,3)23-16(22)21-14-5-4-12(9-19-14)13-8-11-6-7-18-15(11)20-10-13/h4-10H,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyGYUJKWJTZLMVHX-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.97
Rot. Bonds2

About tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate

tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate (PubChem CID 86671106) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
PubChem CID86671106
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Nametert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(-c2cnc3[nH]ccc3c2)cn1
InChIInChI=1S/C17H18N4O2/c1-17(2,3)23-16(22)21-14-5-4-12(9-19-14)13-8-11-6-7-18-15(11)20-10-13/h4-10H,1-3H3,(H,18,20)(H,19,21,22)
InChIKeyGYUJKWJTZLMVHX-UHFFFAOYSA-N
XLogP3.97
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[5-(2,5-dimethylpyrazol-3-yl)-2-pyridinyl]carbamate
CID 171682426
tert-butyl N-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)cyclohex-3-en-1-yl]carbamate
CID 69207799
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-enyl]carbamate
CID 169467631
tert-butyl N-[5-(2-methylsulfonylphenyl)-2-pyridinyl]carbamate
CID 18549242
tert-butyl N-[5-(1-chloroethyl)-2-pyridinyl]carbamate
CID 178071288
[6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]methylazanium
CID 42553117
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
tert-butyl N-[1-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)prop-2-ynyl]cyclopropyl]carbamate
CID 178023575
tert-butyl N-(5-propan-2-yloxy-2-pyridinyl)carbamate
CID 70798094
tert-butyl N-(5-prop-1-ynyl-2-pyridinyl)carbamate
CID 174419990
tert-butyl N-(4,5-dimethyl-2-pyridinyl)carbamate
CID 58477930

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate (CID 86671106) is tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(-c2cnc3[nH]ccc3c2)cn1.
What is the InChIKey of tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate?
The InChIKey is GYUJKWJTZLMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(2,3)23-16(22)21-14-5-4-12(9-19-14)13-8-11-6-7-18-15(11)20-10-13/h4-10H,1-3H3,(H,18,20)(H,19,21,22).
What are the key properties of tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate?
tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate has a molecular weight of 310.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 86671106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).