(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide

C19H31N3O3 — CID 122601135

IUPAC(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide
SMILESCC(C)CC(=O)N(C)[C@H](C(N)=O)[C@H](O)[C@H](C)CCCc1ccccn1
InChIInChI=1S/C19H31N3O3/c1-13(2)12-16(23)22(4)17(19(20)25)18(24)14(3)8-7-10-15-9-5-6-11-21-15/h5-6,9,11,13-14,17-18,24H,7-8,10,12H2,1-4H3,(H2,20,25)/t14-,17+,18-/m1/s1
InChIKeyZFGRPQGTIUYICI-FHLIZLRMSA-N
MW349.48 g/mol
LogP1.76
Rot. Bonds10

About (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide

(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide (PubChem CID 122601135) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide.

Molecular Properties

Compound Name(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide
PubChem CID122601135
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide
SMILESCC(C)CC(=O)N(C)[C@H](C(N)=O)[C@H](O)[C@H](C)CCCc1ccccn1
InChIInChI=1S/C19H31N3O3/c1-13(2)12-16(23)22(4)17(19(20)25)18(24)14(3)8-7-10-15-9-5-6-11-21-15/h5-6,9,11,13-14,17-18,24H,7-8,10,12H2,1-4H3,(H2,20,25)/t14-,17+,18-/m1/s1
InChIKeyZFGRPQGTIUYICI-FHLIZLRMSA-N
XLogP1.76
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide with MolForge

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Related Compounds

(2R)-5-pyridin-2-ylpentan-2-ol
CID 149104953
N-(1-hydroxypropan-2-yl)-N-methyl-4-pyridin-2-ylbutanamide
CID 109388299
2-amino-4-pyridin-2-ylbutanamide
CID 64990711
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 42701063
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
2-(2,7-dimethyl-10-pyridin-2-yldecyl)pyridine
CID 163557685
3-amino-5-pyridin-2-ylpentanamide
CID 154265454
7-methyl-1-pyridin-2-yloctan-3-one
CID 105125665
2-[[amino-(3-methylbutylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide
CID 111095936
2-[[amino-(propan-2-ylamino)methylidene]amino]-N-methyl-N-(2-pyridin-2-ylethyl)acetamide;hydroiodide
CID 111095959
N-methyl-N-propan-2-yl-2-(2-pyridin-2-ylethylamino)acetamide
CID 28579267
2-hydroxy-7-pyridin-2-ylheptanoic acid
CID 175122940

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide?
The IUPAC name of (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide (CID 122601135) is (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide.
What is the SMILES notation for (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide?
The canonical SMILES for (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide is CC(C)CC(=O)N(C)[C@H](C(N)=O)[C@H](O)[C@H](C)CCCc1ccccn1.
What is the InChIKey of (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide?
The InChIKey is ZFGRPQGTIUYICI-FHLIZLRMSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-13(2)12-16(23)22(4)17(19(20)25)18(24)14(3)8-7-10-15-9-5-6-11-21-15/h5-6,9,11,13-14,17-18,24H,7-8,10,12H2,1-4H3,(H2,20,25)/t14-,17+,18-/m1/s1.
What are the key properties of (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide?
(2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide has a molecular weight of 349.48 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R)-3-hydroxy-4-methyl-2-[methyl(3-methylbutanoyl)amino]-7-pyridin-2-ylheptanamide is sourced from PubChem (CID 122601135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).