methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate

C18H19ClN2O3 — CID 164884787

IUPACmethyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(N(C(C)=O)C(C)C)c(Cl)c2)nc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)21(12(3)22)17-8-6-13(9-15(17)19)16-7-5-14(10-20-16)18(23)24-4/h5-11H,1-4H3
InChIKeyOSZAJJDZAWEWKP-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.95
Rot. Bonds4

About methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate

methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate (PubChem CID 164884787) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate
PubChem CID164884787
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Namemethyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(-c2ccc(N(C(C)=O)C(C)C)c(Cl)c2)nc1
InChIInChI=1S/C18H19ClN2O3/c1-11(2)21(12(3)22)17-8-6-13(9-15(17)19)16-7-5-14(10-20-16)18(23)24-4/h5-11H,1-4H3
InChIKeyOSZAJJDZAWEWKP-UHFFFAOYSA-N
XLogP3.95
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate with MolForge

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Related Compounds

6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
6-[3-chloro-4-[(2,2-difluoroacetyl)-propan-2-ylamino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 164884743
methyl 6-(1H-pyrazol-4-yl)pyridine-3-carboxylate
CID 126673838
methyl 4-(3,4-dichlorophenyl)benzoate
CID 18526057
methyl 6-(5-amino-2-pyridinyl)pyridine-3-carboxylate
CID 10633160
methyl 6-[(2S)-1-acetyl-2-methyl-3,4-dihydro-2H-quinolin-6-yl]pyridine-3-carboxylate
CID 129145240
methyl 6-[4-(cyclopropylmethylamino)-3-methylphenyl]pyridine-3-carboxylate
CID 164884792
6-[4-[acetyl(2,2-difluoroethyl)amino]-3-chlorophenyl]-N-(pyridazin-4-ylmethyl)pyridine-3-carboxamide
CID 166131176
N-[6-[4-[acetyl(cyclopropylmethyl)amino]-3-chlorophenyl]-3-pyridinyl]acetamide
CID 167199889
6-(4-chloro-3-methylphenyl)pyridine-3-carboxylic acid
CID 53223511
6-(5-carboxy-2-pyridinyl)pyridine-3-carboxylic acid;methyl 6-(5-acetyl-2-pyridinyl)pyridine-3-carboxylate;thionyl dichloride
CID 157147415
methyl 4-[4-[4-(4-chlorophenyl)phenyl]phenyl]benzoate
CID 71713147

Frequently Asked Questions

What is the IUPAC name of methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate (CID 164884787) is methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate is COC(=O)c1ccc(-c2ccc(N(C(C)=O)C(C)C)c(Cl)c2)nc1.
What is the InChIKey of methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate?
The InChIKey is OSZAJJDZAWEWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-11(2)21(12(3)22)17-8-6-13(9-15(17)19)16-7-5-14(10-20-16)18(23)24-4/h5-11H,1-4H3.
What are the key properties of methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate?
methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate has a molecular weight of 346.81 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[4-[acetyl(propan-2-yl)amino]-3-chlorophenyl]pyridine-3-carboxylate is sourced from PubChem (CID 164884787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).