N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine

C21H27FN4O2S — CID 124940380

IUPACN-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C21H27FN4O2S/c1-16-12-20(24-19-8-4-7-18(22)13-19)14-21(23-16)17-6-5-11-26(15-17)29(27,28)25-9-2-3-10-25/h4,7-8,12-14,17H,2-3,5-6,9-11,15H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyAFVHOGQASGWDEB-KRWDZBQOSA-N
MW418.54 g/mol
LogP3.79
Rot. Bonds5

About N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine

N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine (PubChem CID 124940380) has the molecular formula C21H27FN4O2S and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
PubChem CID124940380
Molecular FormulaC21H27FN4O2S
Molecular Weight418.54 g/mol
Exact Mass418.18
IUPAC NameN-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1
InChIInChI=1S/C21H27FN4O2S/c1-16-12-20(24-19-8-4-7-18(22)13-19)14-21(23-16)17-6-5-11-26(15-17)29(27,28)25-9-2-3-10-25/h4,7-8,12-14,17H,2-3,5-6,9-11,15H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyAFVHOGQASGWDEB-KRWDZBQOSA-N
XLogP3.79
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine 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

N-(5-fluoro-2-pyridinyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]pyridin-4-amine
CID 124970651
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
(3R)-N,N-dimethyl-3-[6-methyl-4-[(5-methyl-1,3-thiazol-2-yl)amino]-2-pyridinyl]piperidine-1-sulfonamide
CID 124949686
1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-2-methylpropan-1-one
CID 110088942
5-[2-[1-[(3-fluorophenyl)methylsulfonyl]piperidin-3-yl]-6-methyl-4-pyridinyl]pyrimidin-2-amine
CID 110252509
2-(dimethylamino)-1-[3-[4-(3-methoxyanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 110088939
N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
CID 124998034
4,6-dimethyl-N-[2-methyl-6-[(2R)-4-pyrrolidin-1-ylsulfonylmorpholin-2-yl]-4-pyridinyl]pyrimidin-2-amine
CID 125025381
4-cyclopropyl-N-(3-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874089
[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine?
The IUPAC name of N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine (CID 124940380) is N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine.
What is the SMILES notation for N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine?
The canonical SMILES for N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine is Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)n1.
What is the InChIKey of N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine?
The InChIKey is AFVHOGQASGWDEB-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27FN4O2S/c1-16-12-20(24-19-8-4-7-18(22)13-19)14-21(23-16)17-6-5-11-26(15-17)29(27,28)25-9-2-3-10-25/h4,7-8,12-14,17H,2-3,5-6,9-11,15H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine?
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine has a molecular weight of 418.54 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 124940380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).