7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

C21H23N5O4 — CID 66605049

IUPAC7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C21H23N5O4/c22-20(27)15-12-17(25-3-7-29-8-4-25)24-18-14-2-1-13(11-16(14)23-19(15)18)21(28)26-5-9-30-10-6-26/h1-2,11-12,23H,3-10H2,(H2,22,27)
InChIKeyGNKDSWXDPFEXHJ-UHFFFAOYSA-N
MW409.45 g/mol
LogP1.12
Rot. Bonds3

About 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66605049) has the molecular formula C21H23N5O4 and a molecular weight of 409.45 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66605049
Molecular FormulaC21H23N5O4
Molecular Weight409.45 g/mol
Exact Mass409.18
IUPAC Name7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(N2CCOCC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C21H23N5O4/c22-20(27)15-12-17(25-3-7-29-8-4-25)24-18-14-2-1-13(11-16(14)23-19(15)18)21(28)26-5-9-30-10-6-26/h1-2,11-12,23H,3-10H2,(H2,22,27)
InChIKeyGNKDSWXDPFEXHJ-UHFFFAOYSA-N
XLogP1.12
TPSA113.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66605049) is 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(N2CCOCC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is GNKDSWXDPFEXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4/c22-20(27)15-12-17(25-3-7-29-8-4-25)24-18-14-2-1-13(11-16(14)23-19(15)18)21(28)26-5-9-30-10-6-26/h1-2,11-12,23H,3-10H2,(H2,22,27).
What are the key properties of 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 409.45 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-2-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66605049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).