N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide

C19H18F3N5O — CID 91631398

IUPACN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)16-10-17(24-11-23-16)27-7-5-13(6-8-27)25-18(28)15-9-12-3-1-2-4-14(12)26-15/h1-4,9-11,13,26H,5-8H2,(H,25,28)
InChIKeyHFWRAHOGERELNC-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.38
Rot. Bonds3

About N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide

N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide (PubChem CID 91631398) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide
PubChem CID91631398
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC NameN-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide
SMILESO=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cc2ccccc2[nH]1
InChIInChI=1S/C19H18F3N5O/c20-19(21,22)16-10-17(24-11-23-16)27-7-5-13(6-8-27)25-18(28)15-9-12-3-1-2-4-14(12)26-15/h1-4,9-11,13,26H,5-8H2,(H,25,28)
InChIKeyHFWRAHOGERELNC-UHFFFAOYSA-N
XLogP3.38
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-1H-indole-2-carboxamide
CID 75528192
N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)piperidin-4-yl]-1H-indole-2-carboxamide
CID 91818427
5-methyl-1-phenyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]pyrazole-4-carboxamide
CID 121019478
5-methyl-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1,2-oxazole-3-carboxamide
CID 91817778
N-(1-propan-2-ylpiperidin-4-yl)-1H-indole-2-carboxamide
CID 51219847
5-chloro-2-methoxy-N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]benzamide
CID 91809991
N-(1-methylpyrrolidin-3-yl)-1H-indole-2-carboxamide
CID 61344606
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]cyclohexyl]-1H-indole-2-carboxamide
CID 44524829
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-1H-indole-2-carboxamide
CID 99740977
N-(1-methylpiperidin-3-yl)-1H-indole-2-carboxamide
CID 61212193
N-benzyl-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892456

Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide (CID 91631398) is N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide is O=C(NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
The InChIKey is HFWRAHOGERELNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c20-19(21,22)16-10-17(24-11-23-16)27-7-5-13(6-8-27)25-18(28)15-9-12-3-1-2-4-14(12)26-15/h1-4,9-11,13,26H,5-8H2,(H,25,28).
What are the key properties of N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide?
N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide has a molecular weight of 389.38 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91631398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).