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

C22H28FN3O — CID 124998034

IUPACN-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C22H28FN3O/c1-16-13-20(25-19-6-4-18(23)5-7-19)14-22(24-16)17-3-2-10-26(15-17)21-8-11-27-12-9-21/h4-7,13-14,17,21H,2-3,8-12,15H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyREQSIJQVUNWRST-KRWDZBQOSA-N
MW369.48 g/mol
LogP4.63
Rot. Bonds4

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

N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine (PubChem CID 124998034) has the molecular formula C22H28FN3O and a molecular weight of 369.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
PubChem CID124998034
Molecular FormulaC22H28FN3O
Molecular Weight369.48 g/mol
Exact Mass369.22
IUPAC NameN-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine
SMILESCc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C3CCOCC3)C2)n1
InChIInChI=1S/C22H28FN3O/c1-16-13-20(25-19-6-4-18(23)5-7-19)14-22(24-16)17-3-2-10-26(15-17)21-8-11-27-12-9-21/h4-7,13-14,17,21H,2-3,8-12,15H2,1H3,(H,24,25)/t17-/m0/s1
InChIKeyREQSIJQVUNWRST-KRWDZBQOSA-N
XLogP4.63
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.48
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 124971967
N-(4-fluorophenyl)-2-methyl-6-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]pyridin-4-amine
CID 110088790
3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]-1-(oxan-4-yl)piperidine
CID 53192103
1-[4-[(3S)-3-[4-(4-fluoroanilino)-6-methyl-2-pyridinyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 95812324
(3S)-N,N-dimethyl-3-[6-methyl-4-(4-methylanilino)-2-pyridinyl]piperidine-1-sulfonamide
CID 124970731
N-(3-fluorophenyl)-2-methyl-6-[(3S)-1-pyrrolidin-1-ylsulfonylpiperidin-3-yl]pyridin-4-amine
CID 124940380
N-[2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-6-methyl-4-pyridinyl]-4-methyl-1,3-thiazol-2-amine
CID 110093576
4-methyl-N-[6-methyl-2-[(3R)-1-(oxan-4-yl)piperidin-3-yl]pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 124987825
2-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridine
CID 95841777
4-cyclopropyl-N-(4-fluorophenyl)-6-methylpyrimidin-2-amine
CID 19874092
3-[3-[4-[(4,6-dimethylpyrimidin-2-yl)amino]-6-methyl-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 110264929
3-[2-[(4-fluorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine;formic acid
CID 171317322

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine (CID 124998034) is N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine is Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCCN(C3CCOCC3)C2)n1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine?
The InChIKey is REQSIJQVUNWRST-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H28FN3O/c1-16-13-20(25-19-6-4-18(23)5-7-19)14-22(24-16)17-3-2-10-26(15-17)21-8-11-27-12-9-21/h4-7,13-14,17,21H,2-3,8-12,15H2,1H3,(H,24,25)/t17-/m0/s1.
What are the key properties of N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine?
N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine has a molecular weight of 369.48 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-6-[(3S)-1-(oxan-4-yl)piperidin-3-yl]pyridin-4-amine is sourced from PubChem (CID 124998034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).