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

C24H23F3N4O3 — CID 118195081

IUPAC6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cn1
InChIInChI=1S/C24H23F3N4O3/c1-15-2-3-17(11-28-15)21-10-18(12-29-22(21)31-9-8-16(13-31)14-32)23(33)30-19-4-6-20(7-5-19)34-24(25,26)27/h2-7,10-12,16,32H,8-9,13-14H2,1H3,(H,30,33)/t16-/m0/s1
InChIKeyHZPMQMATNFFSEH-INIZCTEOSA-N
MW472.47 g/mol
LogP4.42
Rot. Bonds6

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

6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 118195081) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID118195081
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cn1
InChIInChI=1S/C24H23F3N4O3/c1-15-2-3-17(11-28-15)21-10-18(12-29-22(21)31-9-8-16(13-31)14-32)23(33)30-19-4-6-20(7-5-19)34-24(25,26)27/h2-7,10-12,16,32H,8-9,13-14H2,1H3,(H,30,33)/t16-/m0/s1
InChIKeyHZPMQMATNFFSEH-INIZCTEOSA-N
XLogP4.42
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 118195081) is 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cn1.
What is the InChIKey of 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is HZPMQMATNFFSEH-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-15-2-3-17(11-28-15)21-10-18(12-29-22(21)31-9-8-16(13-31)14-32)23(33)30-19-4-6-20(7-5-19)34-24(25,26)27/h2-7,10-12,16,32H,8-9,13-14H2,1H3,(H,30,33)/t16-/m0/s1.
What are the key properties of 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(6-methyl-3-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 118195081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).