(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone

C16H17N3O — CID 109181859

IUPAC(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2)cn1)N1CCCC1
InChIInChI=1S/C16H17N3O/c20-16(19-10-4-5-11-19)15-9-8-14(12-17-15)18-13-6-2-1-3-7-13/h1-3,6-9,12,18H,4-5,10-11H2
InChIKeyLSLLTKANVJTAKH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds3

About (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone

(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone (PubChem CID 109181859) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
PubChem CID109181859
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(Nc2ccccc2)cn1)N1CCCC1
InChIInChI=1S/C16H17N3O/c20-16(19-10-4-5-11-19)15-9-8-14(12-17-15)18-13-6-2-1-3-7-13/h1-3,6-9,12,18H,4-5,10-11H2
InChIKeyLSLLTKANVJTAKH-UHFFFAOYSA-N
XLogP3.06
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109181915
azepan-1-yl-[5-(4-piperidin-1-ylanilino)-2-pyridinyl]methanone
CID 109196821
N-[4-[[6-(piperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109182665
[5-(2-chloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181885
[5-(3,4-dichloroanilino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181948
azepan-1-yl-[5-(3-methoxyanilino)-2-pyridinyl]methanone
CID 109196797
piperidin-1-yl-[5-[3-(trifluoromethyl)anilino]-2-pyridinyl]methanone
CID 109182660
[5-(2-phenoxyanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182693
3-[[6-(azepane-1-carbonyl)-3-pyridinyl]amino]benzonitrile
CID 109196849
[5-(2,6-difluoroanilino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182712
azepan-1-yl-(5-hydrazinyl-2-pyridinyl)methanone
CID 104642343
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060

Frequently Asked Questions

What is the IUPAC name of (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone (CID 109181859) is (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone is O=C(c1ccc(Nc2ccccc2)cn1)N1CCCC1.
What is the InChIKey of (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone?
The InChIKey is LSLLTKANVJTAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(19-10-4-5-11-19)15-9-8-14(12-17-15)18-13-6-2-1-3-7-13/h1-3,6-9,12,18H,4-5,10-11H2.
What are the key properties of (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone?
(5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone has a molecular weight of 267.33 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-2-pyridinyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109181859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).