2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

C21H33N3O3 — CID 70816934

IUPAC2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C21H33N3O3/c1-14-13-17(24-9-11-27-12-10-24)23-19(15-5-6-15)18(14)20(26)22-8-7-16(25)21(2,3)4/h13,15-16,25H,5-12H2,1-4H3,(H,22,26)
InChIKeyPODLGSGRUSCTHQ-UHFFFAOYSA-N
MW375.51 g/mol
LogP2.63
Rot. Bonds6

About 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide

2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 70816934) has the molecular formula C21H33N3O3 and a molecular weight of 375.51 g/mol. Its IUPAC name is 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
PubChem CID70816934
Molecular FormulaC21H33N3O3
Molecular Weight375.51 g/mol
Exact Mass375.25
IUPAC Name2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C21H33N3O3/c1-14-13-17(24-9-11-27-12-10-24)23-19(15-5-6-15)18(14)20(26)22-8-7-16(25)21(2,3)4/h13,15-16,25H,5-12H2,1-4H3,(H,22,26)
InChIKeyPODLGSGRUSCTHQ-UHFFFAOYSA-N
XLogP2.63
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.51
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide (CID 70816934) is 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C2CC2)c1C(=O)NCCC(O)C(C)(C)C.
What is the InChIKey of 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is PODLGSGRUSCTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3/c1-14-13-17(24-9-11-27-12-10-24)23-19(15-5-6-15)18(14)20(26)22-8-7-16(25)21(2,3)4/h13,15-16,25H,5-12H2,1-4H3,(H,22,26).
What are the key properties of 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide?
2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 375.51 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 70816934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).