9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide

C16H19N5O — CID 71173807

IUPAC9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide
SMILESCCNc1nc2c(cc1C(N)=O)c1ccccc1n2CCN
InChIInChI=1S/C16H19N5O/c1-2-19-15-12(14(18)22)9-11-10-5-3-4-6-13(10)21(8-7-17)16(11)20-15/h3-6,9H,2,7-8,17H2,1H3,(H2,18,22)(H,19,20)
InChIKeyRGRJMXXWQPGDES-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.68
Rot. Bonds5

About 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide

9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide (PubChem CID 71173807) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide.

Molecular Properties

Compound Name9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide
PubChem CID71173807
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide
SMILESCCNc1nc2c(cc1C(N)=O)c1ccccc1n2CCN
InChIInChI=1S/C16H19N5O/c1-2-19-15-12(14(18)22)9-11-10-5-3-4-6-13(10)21(8-7-17)16(11)20-15/h3-6,9H,2,7-8,17H2,1H3,(H2,18,22)(H,19,20)
InChIKeyRGRJMXXWQPGDES-UHFFFAOYSA-N
XLogP1.68
TPSA98.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide?
The IUPAC name of 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide (CID 71173807) is 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide.
What is the SMILES notation for 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide?
The canonical SMILES for 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide is CCNc1nc2c(cc1C(N)=O)c1ccccc1n2CCN.
What is the InChIKey of 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide?
The InChIKey is RGRJMXXWQPGDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-19-15-12(14(18)22)9-11-10-5-3-4-6-13(10)21(8-7-17)16(11)20-15/h3-6,9H,2,7-8,17H2,1H3,(H2,18,22)(H,19,20).
What are the key properties of 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide?
9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-aminoethyl)-2-(ethylamino)pyrido[2,3-b]indole-3-carboxamide is sourced from PubChem (CID 71173807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).