N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

C16H18F3N3O2 — CID 164622482

IUPACN-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N[C@H](C)CO
InChIInChI=1S/C16H18F3N3O2/c1-9(8-23)22-15(24)14-10(2)12(7-21-14)5-11-3-4-13(20-6-11)16(17,18)19/h3-4,6-7,9,21,23H,5,8H2,1-2H3,(H,22,24)/t9-/m1/s1
InChIKeyPHQNQPKJWFLJFG-SECBINFHSA-N
MW341.33 g/mol
LogP2.44
Rot. Bonds5

About N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide

N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 164622482) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID164622482
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N[C@H](C)CO
InChIInChI=1S/C16H18F3N3O2/c1-9(8-23)22-15(24)14-10(2)12(7-21-14)5-11-3-4-13(20-6-11)16(17,18)19/h3-4,6-7,9,21,23H,5,8H2,1-2H3,(H,22,24)/t9-/m1/s1
InChIKeyPHQNQPKJWFLJFG-SECBINFHSA-N
XLogP2.44
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide (CID 164622482) is N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is Cc1c(Cc2ccc(C(F)(F)F)nc2)c[nH]c1C(=O)N[C@H](C)CO.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PHQNQPKJWFLJFG-SECBINFHSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-9(8-23)22-15(24)14-10(2)12(7-21-14)5-11-3-4-13(20-6-11)16(17,18)19/h3-4,6-7,9,21,23H,5,8H2,1-2H3,(H,22,24)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide?
N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-3-methyl-4-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 164622482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).