4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide

C14H15Cl2N3O2 — CID 71858686

IUPAC4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C14H15Cl2N3O2/c1-19-11(8-10(15)13(19)16)14(20)17-7-6-9-4-3-5-12(18-9)21-2/h3-5,8H,6-7H2,1-2H3,(H,17,20)
InChIKeyDDWKPNKHFNWNND-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.71
Rot. Bonds5

About 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide

4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide (PubChem CID 71858686) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide
PubChem CID71858686
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide
SMILESCOc1cccc(CCNC(=O)c2cc(Cl)c(Cl)n2C)n1
InChIInChI=1S/C14H15Cl2N3O2/c1-19-11(8-10(15)13(19)16)14(20)17-7-6-9-4-3-5-12(18-9)21-2/h3-5,8H,6-7H2,1-2H3,(H,17,20)
InChIKeyDDWKPNKHFNWNND-UHFFFAOYSA-N
XLogP2.71
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide 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-[2-(6-ethoxy-2-pyridinyl)ethyl]-3-(2-methoxyethoxy)benzamide
CID 126801683
6-methoxy-N-(2-phenylethyl)pyridine-2-carboxamide
CID 84581484
2-chloro-5-[(6-methoxy-2-pyridinyl)methylamino]-N-methylbenzamide
CID 103347678
2-[1-(2-chlorophenyl)-5-[(6-methoxy-2-pyridinyl)sulfanyl]pyrazol-3-yl]ethylcarbamic acid
CID 68748406
1-[2-(4-chlorophenyl)ethyl]-3-[(6-methoxy-2-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111197035
N-[2-(3-methoxyphenyl)ethyl]-1-methylindole-2-carboxamide
CID 113207074
N-[2-(2,4-dichlorophenyl)ethyl]-3-(3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 5021032
N-[2-(4-chlorophenyl)ethyl]-1-methyl-5-phenoxyindole-2-carboxamide
CID 3321068
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
2-chloro-5-[(6-methoxy-2-pyridinyl)methoxy]benzoic acid
CID 106500459
6-methoxy-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 84581499
3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide (CID 71858686) is 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide is COc1cccc(CCNC(=O)c2cc(Cl)c(Cl)n2C)n1.
What is the InChIKey of 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is DDWKPNKHFNWNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-19-11(8-10(15)13(19)16)14(20)17-7-6-9-4-3-5-12(18-9)21-2/h3-5,8H,6-7H2,1-2H3,(H,17,20).
What are the key properties of 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide?
4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 328.20 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[2-(6-methoxy-2-pyridinyl)ethyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 71858686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).