5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

C20H30N4O3 — CID 86728501

IUPAC5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C(C)C)c(O)cc2C#N)C[C@H]1C(C)C
InChIInChI=1S/C20H30N4O3/c1-13(2)16-12-23(7-8-24(16)18(26)6-9-27-5)20-15(11-21)10-17(25)19(22-20)14(3)4/h10,13-14,16,25H,6-9,12H2,1-5H3/t16-/m0/s1
InChIKeyXBLYTJRNZMCNGG-INIZCTEOSA-N
MW374.49 g/mol
LogP2.49
Rot. Bonds6

About 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile

5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 86728501) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID86728501
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
SMILESCOCCC(=O)N1CCN(c2nc(C(C)C)c(O)cc2C#N)C[C@H]1C(C)C
InChIInChI=1S/C20H30N4O3/c1-13(2)16-12-23(7-8-24(16)18(26)6-9-27-5)20-15(11-21)10-17(25)19(22-20)14(3)4/h10,13-14,16,25H,6-9,12H2,1-5H3/t16-/m0/s1
InChIKeyXBLYTJRNZMCNGG-INIZCTEOSA-N
XLogP2.49
TPSA89.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 71118547
5-(3-methoxyphenyl)-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 71119143
2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-phenylmethoxy-6-propan-2-ylpyridine-3-carbonitrile
CID 71119102
6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-5-[2-(trifluoromethoxy)phenyl]pyridine-3-carbonitrile
CID 90302056
4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]benzamide
CID 71119558
5-(5-cyano-2-ethenyl-4-pyridinyl)-6-cyclopropyl-2-[4-(2-methoxyacetyl)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carbonitrile
CID 89288200
6-cyclopropyl-5-(2-ethenyl-4-pyridinyl)-2-[4-(2-methoxyacetyl)-3-propan-2-ylpiperazin-1-yl]pyridine-3-carbonitrile
CID 123446459
6-cyclopropyl-2-[4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-5-(2-methylpyrazol-3-yl)pyridine-3-carbonitrile
CID 71119233
5-(4-ethylphenyl)-2-[4-(3-methoxy-2-oxopropanoyl)-3-methylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 135285053
5-[2,6-bis(ethenyl)-4-pyridinyl]-6-cyclopropyl-2-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]pyridine-3-carbonitrile
CID 90301745
6-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-3,3-dimethyl-8-(1-methylcyclopropyl)-1,4-dihydroisochromene-5-carbonitrile
CID 90282928
N-[4-[5-cyano-2-cyclopropyl-6-[(3R)-4-(3-methoxypropanoyl)-3-methylpiperazin-1-yl]-3-pyridinyl]phenyl]acetamide
CID 90301565

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile (CID 86728501) is 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is COCCC(=O)N1CCN(c2nc(C(C)C)c(O)cc2C#N)C[C@H]1C(C)C.
What is the InChIKey of 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is XBLYTJRNZMCNGG-INIZCTEOSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)16-12-23(7-8-24(16)18(26)6-9-27-5)20-15(11-21)10-17(25)19(22-20)14(3)4/h10,13-14,16,25H,6-9,12H2,1-5H3/t16-/m0/s1.
What are the key properties of 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile?
5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 374.49 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(3R)-4-(3-methoxypropanoyl)-3-propan-2-ylpiperazin-1-yl]-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 86728501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).