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

C26H33N7O3 — CID 59258719

IUPAC6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1c(C)[nH]c2ccc(NC(=O)c3cc(N4CCC(C(N)=O)CC4)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C26H33N7O3/c1-3-19-16(2)28-21-5-4-18(14-20(19)21)29-25(35)22-15-23(32-8-6-17(7-9-32)24(27)34)31-26(30-22)33-10-12-36-13-11-33/h4-5,14-15,17,28H,3,6-13H2,1-2H3,(H2,27,34)(H,29,35)
InChIKeyVTUXSBAOJJOMPF-UHFFFAOYSA-N
MW491.60 g/mol
LogP2.62
Rot. Bonds6

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

6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 59258719) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID59258719
Molecular FormulaC26H33N7O3
Molecular Weight491.60 g/mol
Exact Mass491.26
IUPAC Name6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCc1c(C)[nH]c2ccc(NC(=O)c3cc(N4CCC(C(N)=O)CC4)nc(N4CCOCC4)n3)cc12
InChIInChI=1S/C26H33N7O3/c1-3-19-16(2)28-21-5-4-18(14-20(19)21)29-25(35)22-15-23(32-8-6-17(7-9-32)24(27)34)31-26(30-22)33-10-12-36-13-11-33/h4-5,14-15,17,28H,3,6-13H2,1-2H3,(H2,27,34)(H,29,35)
InChIKeyVTUXSBAOJJOMPF-UHFFFAOYSA-N
XLogP2.62
TPSA129.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 59258719) is 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is CCc1c(C)[nH]c2ccc(NC(=O)c3cc(N4CCC(C(N)=O)CC4)nc(N4CCOCC4)n3)cc12.
What is the InChIKey of 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is VTUXSBAOJJOMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O3/c1-3-19-16(2)28-21-5-4-18(14-20(19)21)29-25(35)22-15-23(32-8-6-17(7-9-32)24(27)34)31-26(30-22)33-10-12-36-13-11-33/h4-5,14-15,17,28H,3,6-13H2,1-2H3,(H2,27,34)(H,29,35).
What are the key properties of 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?
6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 491.60 g/mol, XLogP of 2.62, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-carbamoylpiperidin-1-yl)-N-(3-ethyl-2-methyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).