N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine

C19H24FN5O2S — CID 124970651

IUPACN-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C19H24FN5O2S/c1-14-10-17(23-19-5-4-16(20)12-21-19)11-18(22-14)15-6-9-25(13-15)28(26,27)24-7-2-3-8-24/h4-5,10-12,15H,2-3,6-9,13H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyJRNUSEGPHGQJPL-HNNXBMFYSA-N
MW405.50 g/mol
LogP2.80
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine

N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine (PubChem CID 124970651) has the molecular formula C19H24FN5O2S and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
PubChem CID124970651
Molecular FormulaC19H24FN5O2S
Molecular Weight405.50 g/mol
Exact Mass405.16
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C19H24FN5O2S/c1-14-10-17(23-19-5-4-16(20)12-21-19)11-18(22-14)15-6-9-25(13-15)28(26,27)24-7-2-3-8-24/h4-5,10-12,15H,2-3,6-9,13H2,1H3,(H,21,22,23)/t15-/m0/s1
InChIKeyJRNUSEGPHGQJPL-HNNXBMFYSA-N
XLogP2.80
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine (CID 124970651) is N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine is Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(S(=O)(=O)N3CCCC3)C2)n1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine?
The InChIKey is JRNUSEGPHGQJPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24FN5O2S/c1-14-10-17(23-19-5-4-16(20)12-21-19)11-18(22-14)15-6-9-25(13-15)28(26,27)24-7-2-3-8-24/h4-5,10-12,15H,2-3,6-9,13H2,1H3,(H,21,22,23)/t15-/m0/s1.
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine?
N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine has a molecular weight of 405.50 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 124970651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).