[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C17H18ClN3O2 — CID 109181895

IUPAC[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCCC2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-23-16-7-4-12(18)10-15(16)20-13-5-6-14(19-11-13)17(22)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyFQNMQWBKGSSEDT-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.72
Rot. Bonds4

About [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109181895) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109181895
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCCC2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-23-16-7-4-12(18)10-15(16)20-13-5-6-14(19-11-13)17(22)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3
InChIKeyFQNMQWBKGSSEDT-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
5-(5-chloro-2-methoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197586
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
[5-(2,5-dichloroanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183401
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]-(4-ethylpiperazin-1-yl)methanone
CID 109186744
[5-(5-chloro-2-methoxyanilino)pyrazin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 109288721
pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109181962
4-[5-(5-chloro-2-methylanilino)pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109186998
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109181895) is [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is COc1ccc(Cl)cc1Nc1ccc(C(=O)N2CCCC2)nc1.
What is the InChIKey of [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is FQNMQWBKGSSEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-23-16-7-4-12(18)10-15(16)20-13-5-6-14(19-11-13)17(22)21-8-2-3-9-21/h4-7,10-11,20H,2-3,8-9H2,1H3.
What are the key properties of [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 331.80 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109181895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).