1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

C18H21FN4O — CID 125023472

IUPAC1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1
InChIInChI=1S/C18H21FN4O/c1-3-18(24)23-7-6-13(11-23)16-9-15(8-12(2)21-16)22-17-5-4-14(19)10-20-17/h4-5,8-10,13H,3,6-7,11H2,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyYYKSROBCPUSFTK-CYBMUJFWSA-N
MW328.39 g/mol
LogP3.39
Rot. Bonds4

About 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one

1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 125023472) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
PubChem CID125023472
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1
InChIInChI=1S/C18H21FN4O/c1-3-18(24)23-7-6-13(11-23)16-9-15(8-12(2)21-16)22-17-5-4-14(19)10-20-17/h4-5,8-10,13H,3,6-7,11H2,1-2H3,(H,20,21,22)/t13-/m1/s1
InChIKeyYYKSROBCPUSFTK-CYBMUJFWSA-N
XLogP3.39
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-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

2-[2-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-oxoethyl]-6-methylpyridazin-3-one
CID 124959542
3-(3-chlorophenyl)-1-[3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 127251338
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651
2-(2-fluorophenyl)-1-[(3S)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 125023296
1-[(2S)-2-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-2-(1-hydroxycyclohexyl)ethanone
CID 95832776
[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 110093216
2-[4-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 124947488
N-(5-fluoro-2-pyridinyl)-2-methyl-6-pyrrolidin-2-ylpyridin-4-amine
CID 66509341
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95812324
3-cyclopentyl-1-[(3R)-3-[6-methyl-4-(pyrimidin-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]propan-1-one
CID 124952390
1-[3-[6-methyl-4-(1,3-thiazol-2-ylamino)-2-pyridinyl]pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 110093556

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one (CID 125023472) is 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CC[C@@H](c2cc(Nc3ccc(F)cn3)cc(C)n2)C1.
What is the InChIKey of 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is YYKSROBCPUSFTK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-3-18(24)23-7-6-13(11-23)16-9-15(8-12(2)21-16)22-17-5-4-14(19)10-20-17/h4-5,8-10,13H,3,6-7,11H2,1-2H3,(H,20,21,22)/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one?
1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 328.39 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-[4-[(5-fluoro-2-pyridinyl)amino]-6-methyl-2-pyridinyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 125023472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).