[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C16H16ClN3O — CID 1441202

IUPAC[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCC1
InChIInChI=1S/C16H16ClN3O/c17-13-4-6-14(7-5-13)19-15-8-3-12(11-18-15)16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,18,19)
InChIKeyLFBQSYAXEGJIAR-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.71
Rot. Bonds3

About [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 1441202) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID1441202
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCC1
InChIInChI=1S/C16H16ClN3O/c17-13-4-6-14(7-5-13)19-15-8-3-12(11-18-15)16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,18,19)
InChIKeyLFBQSYAXEGJIAR-UHFFFAOYSA-N
XLogP3.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

piperidin-1-yl-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109152366
[6-(4-chloroanilino)-3-pyridinyl]-(2-methylpiperidin-1-yl)methanone;hydrochloride
CID 23725274
[6-(3,5-dichloroanilino)-3-pyridinyl]-morpholin-4-ylmethanone
CID 109153503
(4-methylpiperazin-1-yl)-[6-(4-pyrrolidin-1-ylanilino)-3-pyridinyl]methanone
CID 109154661
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
[6-(2-fluoroanilino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 1447856
1-[4-[[5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]amino]phenyl]ethanone
CID 109160080
(6-anilino-3-pyridinyl)-(3-methylpiperidin-1-yl)methanone
CID 23725328
N-(4-chlorophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102585
[6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 46226045
azepan-1-yl-[6-(4-chloro-2,5-dimethoxyanilino)-3-pyridinyl]methanone
CID 109162064
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 60722911

Frequently Asked Questions

What is the IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 1441202) is [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Nc2ccc(Cl)cc2)nc1)N1CCCC1.
What is the InChIKey of [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LFBQSYAXEGJIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-4-6-14(7-5-13)19-15-8-3-12(11-18-15)16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,18,19).
What are the key properties of [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 301.78 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chloroanilino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1441202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).