2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

C23H24N6O2 — CID 66604447

IUPAC2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN(C)c1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCOCC5)ccc4c3n2)cn1
InChIInChI=1S/C23H24N6O2/c1-28(2)20-6-3-14(13-25-20)18-12-17(23(24)30)22-21(26-18)16-5-4-15(11-19(16)27-22)29-7-9-31-10-8-29/h3-6,11-13,27H,7-10H2,1-2H3,(H2,24,30)
InChIKeyHVUOBDRMDMHNCI-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.78
Rot. Bonds4

About 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide

2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604447) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604447
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESCN(C)c1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCOCC5)ccc4c3n2)cn1
InChIInChI=1S/C23H24N6O2/c1-28(2)20-6-3-14(13-25-20)18-12-17(23(24)30)22-21(26-18)16-5-4-15(11-19(16)27-22)29-7-9-31-10-8-29/h3-6,11-13,27H,7-10H2,1-2H3,(H2,24,30)
InChIKeyHVUOBDRMDMHNCI-UHFFFAOYSA-N
XLogP2.78
TPSA100.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604447) is 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is CN(C)c1ccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCOCC5)ccc4c3n2)cn1.
What is the InChIKey of 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is HVUOBDRMDMHNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-28(2)20-6-3-14(13-25-20)18-12-17(23(24)30)22-21(26-18)16-5-4-15(11-19(16)27-22)29-7-9-31-10-8-29/h3-6,11-13,27H,7-10H2,1-2H3,(H2,24,30).
What are the key properties of 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide?
2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(dimethylamino)-3-pyridinyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).