N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine

C25H30F3N7O2 — CID 142853179

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine
SMILESCN1CCCC1.CNc1nccc(CNc2ncccc2C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H19F3N6O2.C5H11N/c1-24-19-26-7-5-13(29-19)11-27-17-16(4-3-6-25-17)18(30)28-14-8-12(20(21,22)23)9-15(10-14)31-2;1-6-4-2-3-5-6/h3-10H,11H2,1-2H3,(H,25,27)(H,28,30)(H,24,26,29);2-5H2,1H3
InChIKeyQZTMFIMYRTVLDG-UHFFFAOYSA-N
MW517.56 g/mol
LogP4.52
Rot. Bonds7

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine

N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine (PubChem CID 142853179) has the molecular formula C25H30F3N7O2 and a molecular weight of 517.56 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine
PubChem CID142853179
Molecular FormulaC25H30F3N7O2
Molecular Weight517.56 g/mol
Exact Mass517.24
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine
SMILESCN1CCCC1.CNc1nccc(CNc2ncccc2C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C20H19F3N6O2.C5H11N/c1-24-19-26-7-5-13(29-19)11-27-17-16(4-3-6-25-17)18(30)28-14-8-12(20(21,22)23)9-15(10-14)31-2;1-6-4-2-3-5-6/h3-10H,11H2,1-2H3,(H,25,27)(H,28,30)(H,24,26,29);2-5H2,1H3
InChIKeyQZTMFIMYRTVLDG-UHFFFAOYSA-N
XLogP4.52
TPSA104.30 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.56
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine 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

2-[(2-methoxypyrimidin-4-yl)methylamino]-N-[3-[(1-methylpyrrolidin-2-yl)methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 22498919
2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[(3R)-oxolan-3-yl]oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 59997001
2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[[(2S)-oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide;2-[(2-methoxy-4-pyridinyl)methylamino]-N-[3-[[(2R)-oxolan-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 158690472
2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87108890
2-[(2-methoxyphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 23632370
2-[(2-morpholin-4-yl-4-pyridinyl)methylamino]-N-[3-(1-pyrrolidin-2-ylethoxy)-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 22498960
N-(3-bromo-5-methoxyphenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 82861112
2-[[2-(methylcarbamoylamino)-4-pyridinyl]methylamino]-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 67052446
2-[[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]methylamino]-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]pyridine-3-carboxamide
CID 22249252
N-[4-[2-(1-methylpiperidin-4-yl)propan-2-yl]phenyl]-2-(pyrimidin-4-ylmethylamino)pyridine-3-carboxamide
CID 22498887
4-(3-chloro-2-pyridinyl)-2-(2-methoxyethylamino)-N-[3-methoxy-5-(trifluoromethyl)phenyl]benzamide
CID 59672711
N-(3-bromo-5-methoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 82858745

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine (CID 142853179) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine is CN1CCCC1.CNc1nccc(CNc2ncccc2C(=O)Nc2cc(OC)cc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine?
The InChIKey is QZTMFIMYRTVLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2.C5H11N/c1-24-19-26-7-5-13(29-19)11-27-17-16(4-3-6-25-17)18(30)28-14-8-12(20(21,22)23)9-15(10-14)31-2;1-6-4-2-3-5-6/h3-10H,11H2,1-2H3,(H,25,27)(H,28,30)(H,24,26,29);2-5H2,1H3.
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine has a molecular weight of 517.56 g/mol, XLogP of 4.52, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-2-[[2-(methylamino)pyrimidin-4-yl]methylamino]pyridine-3-carboxamide;1-methylpyrrolidine is sourced from PubChem (CID 142853179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).