[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone

C18H22N4O — CID 24794840

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C18H22N4O/c1-21(2)16-10-12-22(13-16)18(23)14-6-8-15(9-7-14)20-17-5-3-4-11-19-17/h3-9,11,16H,10,12-13H2,1-2H3,(H,19,20)
InChIKeyQEVDRWFDZMXCDJ-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.60
Rot. Bonds4

About [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone (PubChem CID 24794840) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
PubChem CID24794840
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
SMILESCN(C)C1CCN(C(=O)c2ccc(Nc3ccccn3)cc2)C1
InChIInChI=1S/C18H22N4O/c1-21(2)16-10-12-22(13-16)18(23)14-6-8-15(9-7-14)20-17-5-3-4-11-19-17/h3-9,11,16H,10,12-13H2,1-2H3,(H,19,20)
InChIKeyQEVDRWFDZMXCDJ-UHFFFAOYSA-N
XLogP2.60
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
CID 24794963
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
[4-[[4-(5-bromothiophen-2-yl)pyrimidin-2-yl]amino]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 59468364
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]methanone
CID 68681016
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-(6-iodo-3-pyridinyl)methanone
CID 134405988
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
[4-[[4-(3-cyclobutyl-2-methylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 67037927
(4-tert-butylphenyl)-[(3S)-3-pyridin-2-yloxypyrrolidin-1-yl]methanone
CID 129417459
phenyl-[3-[2-(pyridin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]methanone
CID 127252094
2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126453381
(6S)-7-cyclopentyl-2-[4-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]anilino]spiro[5H-pyrrolo[2,3-d]pyrimidine-6,3'-pyrrolidine]-2'-one
CID 154968930

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone (CID 24794840) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone is CN(C)C1CCN(C(=O)c2ccc(Nc3ccccn3)cc2)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone?
The InChIKey is QEVDRWFDZMXCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-21(2)16-10-12-22(13-16)18(23)14-6-8-15(9-7-14)20-17-5-3-4-11-19-17/h3-9,11,16H,10,12-13H2,1-2H3,(H,19,20).
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone has a molecular weight of 310.40 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone is sourced from PubChem (CID 24794840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).