N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

C12H9F3N4O2 — CID 153405710

IUPACN-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccncn1
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)6-21-10-2-4-16-5-9(10)19-11(20)8-1-3-17-7-18-8/h1-5,7H,6H2,(H,19,20)
InChIKeyQQHUJWFNGJYFKI-UHFFFAOYSA-N
MW298.22 g/mol
LogP2.07
Rot. Bonds4

About N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide

N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 153405710) has the molecular formula C12H9F3N4O2 and a molecular weight of 298.22 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID153405710
Molecular FormulaC12H9F3N4O2
Molecular Weight298.22 g/mol
Exact Mass298.07
IUPAC NameN-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
SMILESO=C(Nc1cnccc1OCC(F)(F)F)c1ccncn1
InChIInChI=1S/C12H9F3N4O2/c13-12(14,15)6-21-10-2-4-16-5-9(10)19-11(20)8-1-3-17-7-18-8/h1-5,7H,6H2,(H,19,20)
InChIKeyQQHUJWFNGJYFKI-UHFFFAOYSA-N
XLogP2.07
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-difluoroanilino)-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556610
2-[1-(1-adamantyl)ethylamino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 134556726
2,2,2-trifluoroethyl pyrimidine-4-carboxylate
CID 154065367
2-anilino-N-[4-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]pyrimidine-4-carboxamide
CID 134543214
3-(2,2,2-trifluoroethoxy)pyridine-4-carbonyl chloride
CID 87259286
N-(4-methoxy-3-pyridinyl)-3-[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 60615637
N-[4-(1,2,2-trifluoroethoxy)-3-pyridinyl]-2-[[4-(trifluoromethyl)phenyl]methylamino]pyrimidine-4-carboxamide
CID 175353421
3-amino-2-(5-chloro-1,3-diazinan-2-yl)-3-nitroso-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]propanamide
CID 90382537
2-[(5-dimethylsulfinamoyl-2-pyridinyl)amino]-N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-4-carboxamide
CID 131970322
6-chloro-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
CID 41369460
2-methylpropan-2-amine;N-[1-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 162622088
[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]boronic acid
CID 131699870

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide (CID 153405710) is N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is O=C(Nc1cnccc1OCC(F)(F)F)c1ccncn1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is QQHUJWFNGJYFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4O2/c13-12(14,15)6-21-10-2-4-16-5-9(10)19-11(20)8-1-3-17-7-18-8/h1-5,7H,6H2,(H,19,20).
What are the key properties of N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide?
N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 298.22 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 153405710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).