N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

C18H17F2N5O — CID 97055674

IUPACN-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2N[C@H]2CCN(c3c(F)cccc3F)C2)n1
InChIInChI=1S/C18H17F2N5O/c1-11-22-18(26-24-11)13-4-3-8-21-17(13)23-12-7-9-25(10-12)16-14(19)5-2-6-15(16)20/h2-6,8,12H,7,9-10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyDIAWOLAOZNECRX-LBPRGKRZSA-N
MW357.36 g/mol
LogP3.41
Rot. Bonds4

About N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine

N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (PubChem CID 97055674) has the molecular formula C18H17F2N5O and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
PubChem CID97055674
Molecular FormulaC18H17F2N5O
Molecular Weight357.36 g/mol
Exact Mass357.14
IUPAC NameN-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
SMILESCc1noc(-c2cccnc2N[C@H]2CCN(c3c(F)cccc3F)C2)n1
InChIInChI=1S/C18H17F2N5O/c1-11-22-18(26-24-11)13-4-3-8-21-17(13)23-12-7-9-25(10-12)16-14(19)5-2-6-15(16)20/h2-6,8,12H,7,9-10H2,1H3,(H,21,23)/t12-/m0/s1
InChIKeyDIAWOLAOZNECRX-LBPRGKRZSA-N
XLogP3.41
TPSA67.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]cyclopropanecarboxamide
CID 97042284
1-(4-fluorophenyl)-3-[(3R)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 95781588
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(2,2,5,5-tetramethyloxolan-3-yl)pyridin-2-amine
CID 133439384
3-methyl-5-[2-(3-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-1,2,4-oxadiazole
CID 75382035
N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]furan-3-carboxamide
CID 71794521
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133321160
3-methyl-5-[2-[4-(3-methylbutyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 133380752
N-cyclopentyl-3-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 155799638
1-methyl-N-[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-yl]pyrrole-2-carboxamide
CID 71794649
N-[[2-(4-chloro-3-fluorophenyl)-1-methylpyrrolidin-3-yl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133431257
2-fluoro-6-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 136898430
5-(3-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazole
CID 118391611

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The IUPAC name of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine (CID 97055674) is N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine.
What is the SMILES notation for N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The canonical SMILES for N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is Cc1noc(-c2cccnc2N[C@H]2CCN(c3c(F)cccc3F)C2)n1.
What is the InChIKey of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
The InChIKey is DIAWOLAOZNECRX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17F2N5O/c1-11-22-18(26-24-11)13-4-3-8-21-17(13)23-12-7-9-25(10-12)16-14(19)5-2-6-15(16)20/h2-6,8,12H,7,9-10H2,1H3,(H,21,23)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine?
N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine has a molecular weight of 357.36 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,6-difluorophenyl)pyrrolidin-3-yl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine is sourced from PubChem (CID 97055674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).