6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C24H24F3N5O2 — CID 118195215

IUPAC6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCN[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1
InChIInChI=1S/C24H24F3N5O2/c1-15-3-4-16(12-29-15)21-11-17(13-30-22(21)32-10-9-19(14-32)28-2)23(33)31-18-5-7-20(8-6-18)34-24(25,26)27/h3-8,11-13,19,28H,9-10,14H2,1-2H3,(H,31,33)/t19-/m0/s1
InChIKeyMKIQRAVALOTEIL-IBGZPJMESA-N
MW471.48 g/mol
LogP4.40
Rot. Bonds6

About 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195215) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195215
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC Name6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCN[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1
InChIInChI=1S/C24H24F3N5O2/c1-15-3-4-16(12-29-15)21-11-17(13-30-22(21)32-10-9-19(14-32)28-2)23(33)31-18-5-7-20(8-6-18)34-24(25,26)27/h3-8,11-13,19,28H,9-10,14H2,1-2H3,(H,31,33)/t19-/m0/s1
InChIKeyMKIQRAVALOTEIL-IBGZPJMESA-N
XLogP4.40
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195215) is 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is CN[C@H]1CCN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2ccc(C)nc2)C1.
What is the InChIKey of 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is MKIQRAVALOTEIL-IBGZPJMESA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-15-3-4-16(12-29-15)21-11-17(13-30-22(21)32-10-9-19(14-32)28-2)23(33)31-18-5-7-20(8-6-18)34-24(25,26)27/h3-8,11-13,19,28H,9-10,14H2,1-2H3,(H,31,33)/t19-/m0/s1.
What are the key properties of 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.40, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).