(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid

C25H28N2O5 — CID 174405331

IUPAC(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid
SMILESCC(OC(N)=O)C(O)CCc1cccnc1.Cc1ccc(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C14H12O2.C11H16N2O3/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11;1-8(16-11(12)15)10(14)5-4-9-3-2-6-13-7-9/h2-9H,1H3,(H,15,16);2-3,6-8,10,14H,4-5H2,1H3,(H2,12,15)
InChIKeyWBIBALMPLMKSJM-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.22
Rot. Bonds7

About (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid

(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid (PubChem CID 174405331) has the molecular formula C25H28N2O5 and a molecular weight of 436.51 g/mol. Its IUPAC name is (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid.

Molecular Properties

Compound Name(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid
PubChem CID174405331
Molecular FormulaC25H28N2O5
Molecular Weight436.51 g/mol
Exact Mass436.20
IUPAC Name(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid
SMILESCC(OC(N)=O)C(O)CCc1cccnc1.Cc1ccc(C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C14H12O2.C11H16N2O3/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11;1-8(16-11(12)15)10(14)5-4-9-3-2-6-13-7-9/h2-9H,1H3,(H,15,16);2-3,6-8,10,14H,4-5H2,1H3,(H2,12,15)
InChIKeyWBIBALMPLMKSJM-UHFFFAOYSA-N
XLogP4.22
TPSA122.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate
CID 174405332
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methylbenzoic acid
CID 18367521
(4R)-4-(4-phenylphenoxy)-1-pyridin-3-ylpentan-3-ol
CID 59970467
4-methyl-3-(2-pyridin-3-ylethoxy)benzoic acid
CID 63264970
4-[4-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxyphenyl]-3-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 20692776
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
3-methyl-4-(2-pyridin-3-ylethylamino)benzoic acid
CID 55107885
4-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)benzoic acid
CID 99942334
5-methyl-4-(4-phenylphenoxy)-1-pyridin-3-ylhexan-3-ol
CID 18367564
(3R,4S)-1-pyridin-3-yl-4-[4-[2-(trifluoromethoxy)phenyl]phenoxy]pentan-3-ol
CID 162542819
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
N-[2-(dimethylamino)ethyl]-2-(3-hydroxy-5-pyridin-3-ylpentan-2-yl)oxy-3-phenylbenzenesulfonamide
CID 57237419

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid?
The IUPAC name of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid (CID 174405331) is (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid.
What is the SMILES notation for (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid?
The canonical SMILES for (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid is CC(OC(N)=O)C(O)CCc1cccnc1.Cc1ccc(C(=O)O)cc1-c1ccccc1.
What is the InChIKey of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid?
The InChIKey is WBIBALMPLMKSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.C11H16N2O3/c1-10-7-8-12(14(15)16)9-13(10)11-5-3-2-4-6-11;1-8(16-11(12)15)10(14)5-4-9-3-2-6-13-7-9/h2-9H,1H3,(H,15,16);2-3,6-8,10,14H,4-5H2,1H3,(H2,12,15).
What are the key properties of (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid?
(3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid has a molecular weight of 436.51 g/mol, XLogP of 4.22, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-pyridin-3-ylpentan-2-yl) carbamate;4-methyl-3-phenylbenzoic acid is sourced from PubChem (CID 174405331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).