[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C17H18ClN3O — CID 109225614

IUPAC[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)cc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-4-5-14(9-16(12)18)20-15-8-13(10-19-11-15)17(22)21-6-2-3-7-21/h4-5,8-11,20H,2-3,6-7H2,1H3
InChIKeyOPGNGLGFQGABCL-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.02
Rot. Bonds3

About [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109225614) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109225614
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)cc1Cl
InChIInChI=1S/C17H18ClN3O/c1-12-4-5-14(9-16(12)18)20-15-8-13(10-19-11-15)17(22)21-6-2-3-7-21/h4-5,8-11,20H,2-3,6-7H2,1H3
InChIKeyOPGNGLGFQGABCL-UHFFFAOYSA-N
XLogP4.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(3,4-dichloroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226426
[5-(3,4-dichloroanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230218
[5-(3,4-difluoroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225687
N-[4-[[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109225638
azepan-1-yl-[5-(2,5-dimethylanilino)-3-pyridinyl]methanone
CID 109241222
[5-(4-methoxyanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226378
[5-(2,4-dimethylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225589
[5-(2-methylanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226338
[5-(3-bromoanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225656
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
4-[[5-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109241313
4-[5-(3-chloro-4-fluoroanilino)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109230809

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109225614) is [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is Cc1ccc(Nc2cncc(C(=O)N3CCCC3)c2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is OPGNGLGFQGABCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c1-12-4-5-14(9-16(12)18)20-15-8-13(10-19-11-15)17(22)21-6-2-3-7-21/h4-5,8-11,20H,2-3,6-7H2,1H3.
What are the key properties of [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 315.80 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methylanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109225614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).