N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C22H22F3N5O3 — CID 71449295

IUPACN-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc(C)nc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H22F3N5O3/c1-14-3-5-17(16-12-28-21(32-2)29-13-16)18(30-14)7-9-26-20(31)15-4-6-19(27-11-15)33-10-8-22(23,24)25/h3-6,11-13H,7-10H2,1-2H3,(H,26,31)
InChIKeyIRCDXLQCSSEHLM-UHFFFAOYSA-N
MW461.44 g/mol
LogP3.55
Rot. Bonds9

About N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71449295) has the molecular formula C22H22F3N5O3 and a molecular weight of 461.44 g/mol. Its IUPAC name is N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71449295
Molecular FormulaC22H22F3N5O3
Molecular Weight461.44 g/mol
Exact Mass461.17
IUPAC NameN-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESCOc1ncc(-c2ccc(C)nc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1
InChIInChI=1S/C22H22F3N5O3/c1-14-3-5-17(16-12-28-21(32-2)29-13-16)18(30-14)7-9-26-20(31)15-4-6-19(27-11-15)33-10-8-22(23,24)25/h3-6,11-13H,7-10H2,1-2H3,(H,26,31)
InChIKeyIRCDXLQCSSEHLM-UHFFFAOYSA-N
XLogP3.55
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dora-22
CID 25126515
N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 71544013
2-amino-N-[4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]cyclohexyl]pyrimidine-5-carboxamide
CID 89463725
N-[(3S)-5-(2-methoxypyrimidin-5-yl)-3,4-dihydro-2H-chromen-3-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 66813914
2-[benzyl(ethyl)amino]-4-(2,6-dimethoxypyridin-3-yl)-N-(2-phenoxyethyl)pyrimidine-5-carboxamide
CID 25218728
Pyrimidine-4-carboxamide, 81
CID 44520954
Pyrimidine-4-carboxamide, 82
CID 44520967
2-(4-methoxyphenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10250508
2-(3-methoxy-phenylamino)-4-trifluoromethyl-pyrimidine-5-carboxylic acid, N-benzylamide
CID 10453719
N-(3,3-diphenylpropyl)-6-(2,2,2-trifluoroethoxy)nicotinamide
CID 45487797
N-(3-Methyl-4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)phenyl)-3-(trifluoromethyl)benzamide
CID 46929544
2-anilino-N-[4-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]benzamide
CID 46929748

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71449295) is N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is COc1ncc(-c2ccc(C)nc2CCNC(=O)c2ccc(OCCC(F)(F)F)nc2)cn1.
What is the InChIKey of N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is IRCDXLQCSSEHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5O3/c1-14-3-5-17(16-12-28-21(32-2)29-13-16)18(30-14)7-9-26-20(31)15-4-6-19(27-11-15)33-10-8-22(23,24)25/h3-6,11-13H,7-10H2,1-2H3,(H,26,31).
What are the key properties of N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 461.44 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(2-methoxypyrimidin-5-yl)-6-methyl-2-pyridinyl]ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71449295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).