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

C24H22F4N4O3 — CID 118195326

IUPAC5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cc1F
InChIInChI=1S/C24H22F4N4O3/c1-14-21(25)9-16(10-29-14)20-8-17(11-30-22(20)32-7-6-15(12-32)13-33)23(34)31-18-2-4-19(5-3-18)35-24(26,27)28/h2-5,8-11,15,33H,6-7,12-13H2,1H3,(H,31,34)/t15-/m0/s1
InChIKeyFDGBVSBVELNCPQ-HNNXBMFYSA-N
MW490.46 g/mol
LogP4.56
Rot. Bonds6

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

5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195326) has the molecular formula C24H22F4N4O3 and a molecular weight of 490.46 g/mol. Its IUPAC name is 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195326
Molecular FormulaC24H22F4N4O3
Molecular Weight490.46 g/mol
Exact Mass490.16
IUPAC Name5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cc1F
InChIInChI=1S/C24H22F4N4O3/c1-14-21(25)9-16(10-29-14)20-8-17(11-30-22(20)32-7-6-15(12-32)13-33)23(34)31-18-2-4-19(5-3-18)35-24(26,27)28/h2-5,8-11,15,33H,6-7,12-13H2,1H3,(H,31,34)/t15-/m0/s1
InChIKeyFDGBVSBVELNCPQ-HNNXBMFYSA-N
XLogP4.56
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.46
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195326) is 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cc1F.
What is the InChIKey of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is FDGBVSBVELNCPQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H22F4N4O3/c1-14-21(25)9-16(10-29-14)20-8-17(11-30-22(20)32-7-6-15(12-32)13-33)23(34)31-18-2-4-19(5-3-18)35-24(26,27)28/h2-5,8-11,15,33H,6-7,12-13H2,1H3,(H,31,34)/t15-/m0/s1.
What are the key properties of 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 490.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-6-methyl-3-pyridinyl)-6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).