4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide

C21H27N3O2 — CID 101110367

IUPAC4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide
SMILESCC(O)c1c(C(=O)N(C(C)C)C(C)C)cnc2c3ccccc3n(C)c12
InChIInChI=1S/C21H27N3O2/c1-12(2)24(13(3)4)21(26)16-11-22-19-15-9-7-8-10-17(15)23(6)20(19)18(16)14(5)25/h7-14,25H,1-6H3
InChIKeyWEPBQKNFUHAYLF-UHFFFAOYSA-N
MW353.47 g/mol
LogP4.04
Rot. Bonds4

About 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide

4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide (PubChem CID 101110367) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide.

Molecular Properties

Compound Name4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide
PubChem CID101110367
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide
SMILESCC(O)c1c(C(=O)N(C(C)C)C(C)C)cnc2c3ccccc3n(C)c12
InChIInChI=1S/C21H27N3O2/c1-12(2)24(13(3)4)21(26)16-11-22-19-15-9-7-8-10-17(15)23(6)20(19)18(16)14(5)25/h7-14,25H,1-6H3
InChIKeyWEPBQKNFUHAYLF-UHFFFAOYSA-N
XLogP4.04
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide?
The IUPAC name of 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide (CID 101110367) is 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide.
What is the SMILES notation for 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide?
The canonical SMILES for 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide is CC(O)c1c(C(=O)N(C(C)C)C(C)C)cnc2c3ccccc3n(C)c12.
What is the InChIKey of 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide?
The InChIKey is WEPBQKNFUHAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-12(2)24(13(3)4)21(26)16-11-22-19-15-9-7-8-10-17(15)23(6)20(19)18(16)14(5)25/h7-14,25H,1-6H3.
What are the key properties of 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide?
4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)-5-methyl-N,N-di(propan-2-yl)pyrido[3,2-b]indole-3-carboxamide is sourced from PubChem (CID 101110367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).