1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one

C23H25N5O — CID 110240231

IUPAC1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C23H25N5O/c1-2-7-22(29)28-13-11-18(16-28)23-26-20(17-8-6-12-24-15-17)14-21(27-23)25-19-9-4-3-5-10-19/h3-6,8-10,12,14-15,18H,2,7,11,13,16H2,1H3,(H,25,26,27)
InChIKeySNUDUJHNFHGCRA-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.40
Rot. Bonds6

About 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one

1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one (PubChem CID 110240231) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one
PubChem CID110240231
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1
InChIInChI=1S/C23H25N5O/c1-2-7-22(29)28-13-11-18(16-28)23-26-20(17-8-6-12-24-15-17)14-21(27-23)25-19-9-4-3-5-10-19/h3-6,8-10,12,14-15,18H,2,7,11,13,16H2,1H3,(H,25,26,27)
InChIKeySNUDUJHNFHGCRA-UHFFFAOYSA-N
XLogP4.40
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 110240248
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-cyclopropylmethanone
CID 92575229
[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575246
4-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 110243881
[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-cyclopentylmethanone
CID 110240107
(5S)-5-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 110240267
(5R)-5-[(3S)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95851097
1-[3-[4-(3,5-dichloroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]propan-1-one
CID 167370326
[(3R)-3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 92575112
1-[(3R)-3-[4-(3-fluoroanilino)-6-pyridin-3-ylpyrimidin-2-yl]piperidin-1-yl]-3-methoxypropan-1-one
CID 92610994
[3-(4-anilino-6-pyridin-4-ylpyrimidin-2-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 110240084
1-[(2R)-2-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 92553004

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one (CID 110240231) is 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one is CCCC(=O)N1CCC(c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1.
What is the InChIKey of 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is SNUDUJHNFHGCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-2-7-22(29)28-13-11-18(16-28)23-26-20(17-8-6-12-24-15-17)14-21(27-23)25-19-9-4-3-5-10-19/h3-6,8-10,12,14-15,18H,2,7,11,13,16H2,1H3,(H,25,26,27).
What are the key properties of 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one?
1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 387.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-anilino-6-pyridin-3-ylpyrimidin-2-yl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 110240231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).