[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone

C16H16ClN3O — CID 109181885

IUPAC[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2Cl)cn1)N1CCCC1
InChIInChI=1S/C16H16ClN3O/c17-13-5-1-2-6-14(13)19-12-7-8-15(18-11-12)16(21)20-9-3-4-10-20/h1-2,5-8,11,19H,3-4,9-10H2
InChIKeyQRRRMYGFKVKPTE-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.71
Rot. Bonds3

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

[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 109181885) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID109181885
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2Cl)cn1)N1CCCC1
InChIInChI=1S/C16H16ClN3O/c17-13-5-1-2-6-14(13)19-12-7-8-15(18-11-12)16(21)20-9-3-4-10-20/h1-2,5-8,11,19H,3-4,9-10H2
InChIKeyQRRRMYGFKVKPTE-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

(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109181859
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693
[4-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203723
[6-(2-chloroanilino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111996
pyrrolidin-1-yl-[5-(2,3,4-trifluoroanilino)-2-pyridinyl]methanone
CID 109181962
[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181895
azepan-1-yl-[5-(4-chloro-2-methoxy-5-methylanilino)-2-pyridinyl]methanone
CID 109196845
N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
azepan-1-yl-[5-(5-chloro-2-methoxyanilino)-2-pyridinyl]methanone
CID 109196793
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
azepan-1-yl-[5-(2,5-dimethylanilino)-2-pyridinyl]methanone
CID 109196768

Frequently Asked Questions

What is the IUPAC name of [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 109181885) is [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(Nc2ccccc2Cl)cn1)N1CCCC1.
What is the InChIKey of [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is QRRRMYGFKVKPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c17-13-5-1-2-6-14(13)19-12-7-8-15(18-11-12)16(21)20-9-3-4-10-20/h1-2,5-8,11,19H,3-4,9-10H2.
What are the key properties of [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-(2-chloroanilino)-2-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 [5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109181885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).