[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C16H15Cl2N3O — CID 109181948

IUPAC[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)c(Cl)c2)cn1)N1CCCC1
InChIInChI=1S/C16H15Cl2N3O/c17-13-5-3-11(9-14(13)18)20-12-4-6-15(19-10-12)16(22)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8H2
InChIKeyQYRFRWUUZXCZRI-UHFFFAOYSA-N
MW336.22 g/mol
LogP4.37
Rot. Bonds3

About [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109181948) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109181948
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)c(Cl)c2)cn1)N1CCCC1
InChIInChI=1S/C16H15Cl2N3O/c17-13-5-3-11(9-14(13)18)20-12-4-6-15(19-10-12)16(22)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8H2
InChIKeyQYRFRWUUZXCZRI-UHFFFAOYSA-N
XLogP4.37
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-(3,4-dichloroanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109187042
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
[5-(3-chloro-4-methylanilino)-2-pyridinyl]-morpholin-4-ylmethanone
CID 109184666
[5-(4-bromo-3-methylanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181936
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
[2-(3,4-dichloroanilino)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109250070
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109181948) is [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Nc2ccc(Cl)c(Cl)c2)cn1)N1CCCC1.
What is the InChIKey of [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QYRFRWUUZXCZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-13-5-3-11(9-14(13)18)20-12-4-6-15(19-10-12)16(22)21-7-1-2-8-21/h3-6,9-10,20H,1-2,7-8H2.
What are the key properties of [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 336.22 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109181948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).