N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

C19H25N3O2 — CID 94506791

IUPACN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(2)19(3,13-20)21-18(24)12-22-10-8-16(9-11-22)15-4-6-17(23)7-5-15/h4-8,14,23H,9-12H2,1-3H3,(H,21,24)/t19-/m1/s1
InChIKeyIGBOPQRQIGPIQP-LJQANCHMSA-N
MW327.43 g/mol
LogP2.54
Rot. Bonds5

About N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide

N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (PubChem CID 94506791) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
PubChem CID94506791
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide
SMILESCC(C)[C@@](C)(C#N)NC(=O)CN1CC=C(c2ccc(O)cc2)CC1
InChIInChI=1S/C19H25N3O2/c1-14(2)19(3,13-20)21-18(24)12-22-10-8-16(9-11-22)15-4-6-17(23)7-5-15/h4-8,14,23H,9-12H2,1-3H3,(H,21,24)/t19-/m1/s1
InChIKeyIGBOPQRQIGPIQP-LJQANCHMSA-N
XLogP2.54
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The IUPAC name of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide (CID 94506791) is N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide.
What is the SMILES notation for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The canonical SMILES for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is CC(C)[C@@](C)(C#N)NC(=O)CN1CC=C(c2ccc(O)cc2)CC1.
What is the InChIKey of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
The InChIKey is IGBOPQRQIGPIQP-LJQANCHMSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14(2)19(3,13-20)21-18(24)12-22-10-8-16(9-11-22)15-4-6-17(23)7-5-15/h4-8,14,23H,9-12H2,1-3H3,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide?
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide has a molecular weight of 327.43 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[4-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]acetamide is sourced from PubChem (CID 94506791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).