N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide

C24H30N6O2 — CID 59258622

IUPACN-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCCCC4)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C24H30N6O2/c1-2-17-16-25-20-7-6-18(14-19(17)20)26-23(31)21-15-22(29-8-4-3-5-9-29)28-24(27-21)30-10-12-32-13-11-30/h6-7,14-16,25H,2-5,8-13H2,1H3,(H,26,31)
InChIKeyZMFNKCNBCROYIG-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.60
Rot. Bonds5

About N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide

N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 59258622) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID59258622
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCCc1c[nH]c2ccc(NC(=O)c3cc(N4CCCCC4)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C24H30N6O2/c1-2-17-16-25-20-7-6-18(14-19(17)20)26-23(31)21-15-22(29-8-4-3-5-9-29)28-24(27-21)30-10-12-32-13-11-30/h6-7,14-16,25H,2-5,8-13H2,1H3,(H,26,31)
InChIKeyZMFNKCNBCROYIG-UHFFFAOYSA-N
XLogP3.60
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 59258622) is N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide is CCc1c[nH]c2ccc(NC(=O)c3cc(N4CCCCC4)nc(N4CCOCC4)n3)cc12.
What is the InChIKey of N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is ZMFNKCNBCROYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-2-17-16-25-20-7-6-18(14-19(17)20)26-23(31)21-15-22(29-8-4-3-5-9-29)28-24(27-21)30-10-12-32-13-11-30/h6-7,14-16,25H,2-5,8-13H2,1H3,(H,26,31).
What are the key properties of N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-1H-indol-5-yl)-2-morpholin-4-yl-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).