2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine

C16H23F3N4O — CID 97339267

IUPAC2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
SMILESCc1nc(N2CCOCC2)ccc1N[C@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c1-12-14(2-3-15(20-12)23-6-8-24-9-7-23)21-13-4-5-22(10-13)11-16(17,18)19/h2-3,13,21H,4-11H2,1H3/t13-/m0/s1
InChIKeyCPZPYIOCHXHVNY-ZDUSSCGKSA-N
MW344.38 g/mol
LogP2.28
Rot. Bonds4

About 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine

2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine (PubChem CID 97339267) has the molecular formula C16H23F3N4O and a molecular weight of 344.38 g/mol. Its IUPAC name is 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
PubChem CID97339267
Molecular FormulaC16H23F3N4O
Molecular Weight344.38 g/mol
Exact Mass344.18
IUPAC Name2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine
SMILESCc1nc(N2CCOCC2)ccc1N[C@H]1CCN(CC(F)(F)F)C1
InChIInChI=1S/C16H23F3N4O/c1-12-14(2-3-15(20-12)23-6-8-24-9-7-23)21-13-4-5-22(10-13)11-16(17,18)19/h2-3,13,21H,4-11H2,1H3/t13-/m0/s1
InChIKeyCPZPYIOCHXHVNY-ZDUSSCGKSA-N
XLogP2.28
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine?
The IUPAC name of 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine (CID 97339267) is 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine.
What is the SMILES notation for 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine?
The canonical SMILES for 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine is Cc1nc(N2CCOCC2)ccc1N[C@H]1CCN(CC(F)(F)F)C1.
What is the InChIKey of 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine?
The InChIKey is CPZPYIOCHXHVNY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23F3N4O/c1-12-14(2-3-15(20-12)23-6-8-24-9-7-23)21-13-4-5-22(10-13)11-16(17,18)19/h2-3,13,21H,4-11H2,1H3/t13-/m0/s1.
What are the key properties of 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine?
2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine has a molecular weight of 344.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-morpholin-4-yl-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 97339267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).