5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C18H18N4O — CID 11162558

IUPAC5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC1CCCc2cc(C(=O)Nc3ccnc4[nH]ccc34)ccc21
InChIInChI=1S/C18H18N4O/c19-15-3-1-2-11-10-12(4-5-13(11)15)18(23)22-16-7-9-21-17-14(16)6-8-20-17/h4-10,15H,1-3,19H2,(H2,20,21,22,23)
InChIKeySQQWULIZIPGEIA-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.15
Rot. Bonds2

About 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide

5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 11162558) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID11162558
Molecular FormulaC18H18N4O
Molecular Weight306.37 g/mol
Exact Mass306.15
IUPAC Name5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESNC1CCCc2cc(C(=O)Nc3ccnc4[nH]ccc34)ccc21
InChIInChI=1S/C18H18N4O/c19-15-3-1-2-11-10-12(4-5-13(11)15)18(23)22-16-7-9-21-17-14(16)6-8-20-17/h4-10,15H,1-3,19H2,(H2,20,21,22,23)
InChIKeySQQWULIZIPGEIA-UHFFFAOYSA-N
XLogP3.15
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 11162558) is 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is NC1CCCc2cc(C(=O)Nc3ccnc4[nH]ccc34)ccc21.
What is the InChIKey of 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is SQQWULIZIPGEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c19-15-3-1-2-11-10-12(4-5-13(11)15)18(23)22-16-7-9-21-17-14(16)6-8-20-17/h4-10,15H,1-3,19H2,(H2,20,21,22,23).
What are the key properties of 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 3.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1H-pyrrolo[2,3-b]pyridin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 11162558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).