(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide

C20H26N2O3 — CID 140565587

IUPAC(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide
SMILESCC(C)Oc1ccc(Oc2ccc(CC[C@H](C)CC(N)=O)cc2)cn1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-20-11-10-18(13-22-20)25-17-8-6-16(7-9-17)5-4-15(3)12-19(21)23/h6-11,13-15H,4-5,12H2,1-3H3,(H2,21,23)/t15-/m0/s1
InChIKeyNEZQKQTVKNAOLV-HNNXBMFYSA-N
MW342.44 g/mol
LogP4.11
Rot. Bonds9

About (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide

(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide (PubChem CID 140565587) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide.

Molecular Properties

Compound Name(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide
PubChem CID140565587
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide
SMILESCC(C)Oc1ccc(Oc2ccc(CC[C@H](C)CC(N)=O)cc2)cn1
InChIInChI=1S/C20H26N2O3/c1-14(2)24-20-11-10-18(13-22-20)25-17-8-6-16(7-9-17)5-4-15(3)12-19(21)23/h6-11,13-15H,4-5,12H2,1-3H3,(H2,21,23)/t15-/m0/s1
InChIKeyNEZQKQTVKNAOLV-HNNXBMFYSA-N
XLogP4.11
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]phenyl]-4-methylhexan-2-one
CID 58369078
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816
4-[4-[(6-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenoxy]benzamide
CID 56546047
3-methyl-5-phenylpentanamide
CID 66761020
N-[4-[4-[(6-propan-2-yloxy-3-pyridinyl)methyl]phenyl]butan-2-yl]acetamide
CID 144549853
2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
2-(6-propan-2-yloxy-3-pyridinyl)acetic acid
CID 84666013
(3S)-4-[4-(2-hydroxyethyl)phenoxy]-3-methylbutanamide
CID 123476714
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
N-[4-[4-[(6-fluoro-3-pyridinyl)oxy]phenyl]butan-2-yl]acetamide
CID 67302905
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide?
The IUPAC name of (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide (CID 140565587) is (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide.
What is the SMILES notation for (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide?
The canonical SMILES for (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide is CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)CC(N)=O)cc2)cn1.
What is the InChIKey of (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide?
The InChIKey is NEZQKQTVKNAOLV-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-14(2)24-20-11-10-18(13-22-20)25-17-8-6-16(7-9-17)5-4-15(3)12-19(21)23/h6-11,13-15H,4-5,12H2,1-3H3,(H2,21,23)/t15-/m0/s1.
What are the key properties of (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide?
(3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide has a molecular weight of 342.44 g/mol, XLogP of 4.11, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-[4-[(6-propan-2-yloxy-3-pyridinyl)oxy]phenyl]pentanamide is sourced from PubChem (CID 140565587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).