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

C21H35N3O3 — CID 70816831

IUPACN-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C21H35N3O3/c1-14(2)19-18(20(26)22-8-7-16(25)21(4,5)6)15(3)13-17(23-19)24-9-11-27-12-10-24/h13-14,16,25H,7-12H2,1-6H3,(H,22,26)
InChIKeyIEJMBHKWUVXQPY-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.88
Rot. Bonds6

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

N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide (PubChem CID 70816831) has the molecular formula C21H35N3O3 and a molecular weight of 377.53 g/mol. Its IUPAC name is N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
PubChem CID70816831
Molecular FormulaC21H35N3O3
Molecular Weight377.53 g/mol
Exact Mass377.27
IUPAC NameN-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCCC(O)C(C)(C)C
InChIInChI=1S/C21H35N3O3/c1-14(2)19-18(20(26)22-8-7-16(25)21(4,5)6)15(3)13-17(23-19)24-9-11-27-12-10-24/h13-14,16,25H,7-12H2,1-6H3,(H,22,26)
InChIKeyIEJMBHKWUVXQPY-UHFFFAOYSA-N
XLogP2.88
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide (CID 70816831) is N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide is Cc1cc(N2CCOCC2)nc(C(C)C)c1C(=O)NCCC(O)C(C)(C)C.
What is the InChIKey of N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
The InChIKey is IEJMBHKWUVXQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N3O3/c1-14(2)19-18(20(26)22-8-7-16(25)21(4,5)6)15(3)13-17(23-19)24-9-11-27-12-10-24/h13-14,16,25H,7-12H2,1-6H3,(H,22,26).
What are the key properties of N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide?
N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide has a molecular weight of 377.53 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4,4-dimethylpentyl)-4-methyl-6-morpholin-4-yl-2-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 70816831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).