2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

C22H26N6O3 — CID 66604331

IUPAC2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(N2CCC(N)CC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C22H26N6O3/c23-14-3-5-27(6-4-14)18-12-16(21(24)29)20-19(26-18)15-2-1-13(11-17(15)25-20)22(30)28-7-9-31-10-8-28/h1-2,11-12,14,25H,3-10,23H2,(H2,24,29)
InChIKeyQNECZVHODQZKIN-UHFFFAOYSA-N
MW422.49 g/mol
LogP1.21
Rot. Bonds3

About 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide

2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604331) has the molecular formula C22H26N6O3 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604331
Molecular FormulaC22H26N6O3
Molecular Weight422.49 g/mol
Exact Mass422.21
IUPAC Name2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(N2CCC(N)CC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C22H26N6O3/c23-14-3-5-27(6-4-14)18-12-16(21(24)29)20-19(26-18)15-2-1-13(11-17(15)25-20)22(30)28-7-9-31-10-8-28/h1-2,11-12,14,25H,3-10,23H2,(H2,24,29)
InChIKeyQNECZVHODQZKIN-UHFFFAOYSA-N
XLogP1.21
TPSA130.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604331) is 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(N2CCC(N)CC2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is QNECZVHODQZKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3/c23-14-3-5-27(6-4-14)18-12-16(21(24)29)20-19(26-18)15-2-1-13(11-17(15)25-20)22(30)28-7-9-31-10-8-28/h1-2,11-12,14,25H,3-10,23H2,(H2,24,29).
What are the key properties of 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide?
2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).