N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide

C18H19ClN2O3 — CID 123452310

IUPACN-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
SMILESCOc1cc(Cl)cc(Oc2ccc(C=C[C@H](C)NC(C)=O)cn2)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(21-13(2)22)4-5-14-6-7-18(20-11-14)24-17-9-15(19)8-16(10-17)23-3/h4-12H,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyPAGCJCWJGBNIGG-LBPRGKRZSA-N
MW346.81 g/mol
LogP4.07
Rot. Bonds6

About N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide

N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide (PubChem CID 123452310) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
PubChem CID123452310
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
SMILESCOc1cc(Cl)cc(Oc2ccc(C=C[C@H](C)NC(C)=O)cn2)c1
InChIInChI=1S/C18H19ClN2O3/c1-12(21-13(2)22)4-5-14-6-7-18(20-11-14)24-17-9-15(19)8-16(10-17)23-3/h4-12H,1-3H3,(H,21,22)/t12-/m0/s1
InChIKeyPAGCJCWJGBNIGG-LBPRGKRZSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2S)-4-[6-(2-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123244335
N-[(E,2S)-4-[6-(4-bromo-3-chlorophenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118344596
N-[(E,2S)-4-[6-(4-propan-2-yloxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118344356
N-[(2S)-4-[6-(2-chloro-4-ethoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 123684067
N-[(E,2S)-4-[6-(4-chloro-3-propylphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118345832
N-[(E,2S)-4-[6-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118344359
N-[(E,2S)-4-[6-[2-(cyclopropylmethoxy)pyrimidin-5-yl]oxy-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118345770
N-[(E,3R)-1-[6-(3-ethoxy-5-fluorophenoxy)-3-pyridinyl]pent-1-en-4-yn-3-yl]acetamide
CID 144549854
N-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenyl]-4-chlorobutanamide
CID 118345291
ethyl 2-[4-[[5-[(E,3S)-3-acetamidobut-1-enyl]-2-pyridinyl]oxy]-3-chlorophenoxy]-1,3-thiazole-5-carboxylate
CID 118346079
N-[(E,2S)-4-[6-[2-chloro-4-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118346103
N-[(E,2S)-4-[6-[[7-chloro-2-(trifluoromethyl)-1,3-benzothiazol-6-yl]oxy]-3-pyridinyl]but-3-en-2-yl]acetamide
CID 118346081

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
The IUPAC name of N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide (CID 123452310) is N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
The canonical SMILES for N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide is COc1cc(Cl)cc(Oc2ccc(C=C[C@H](C)NC(C)=O)cn2)c1.
What is the InChIKey of N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
The InChIKey is PAGCJCWJGBNIGG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(21-13(2)22)4-5-14-6-7-18(20-11-14)24-17-9-15(19)8-16(10-17)23-3/h4-12H,1-3H3,(H,21,22)/t12-/m0/s1.
What are the key properties of N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide?
N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide has a molecular weight of 346.81 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-[6-(3-chloro-5-methoxyphenoxy)-3-pyridinyl]but-3-en-2-yl]acetamide is sourced from PubChem (CID 123452310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).