N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide

C21H20F3N7O — CID 118326045

IUPACN-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCCC1NC(=O)c1ncccc1-c1ncccn1
InChIInChI=1S/C21H20F3N7O/c1-12-18(28-11-16(29-12)21(22,23)24)30-14-6-2-7-15(14)31-20(32)17-13(5-3-8-25-17)19-26-9-4-10-27-19/h3-5,8-11,14-15H,2,6-7H2,1H3,(H,28,30)(H,31,32)/t14-,15?/m0/s1
InChIKeyHNNMNIHEWGQDKJ-MLCCFXAWSA-N
MW443.43 g/mol
LogP3.42
Rot. Bonds5

About N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide

N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide (PubChem CID 118326045) has the molecular formula C21H20F3N7O and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
PubChem CID118326045
Molecular FormulaC21H20F3N7O
Molecular Weight443.43 g/mol
Exact Mass443.17
IUPAC NameN-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCCC1NC(=O)c1ncccc1-c1ncccn1
InChIInChI=1S/C21H20F3N7O/c1-12-18(28-11-16(29-12)21(22,23)24)30-14-6-2-7-15(14)31-20(32)17-13(5-3-8-25-17)19-26-9-4-10-27-19/h3-5,8-11,14-15H,2,6-7H2,1H3,(H,28,30)(H,31,32)/t14-,15?/m0/s1
InChIKeyHNNMNIHEWGQDKJ-MLCCFXAWSA-N
XLogP3.42
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S,2S)-2-[(3,5-dimethylpyrazin-2-yl)amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 118317158
N-[(1S,2S)-2-[[3-chloro-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-2-(triazol-2-yl)benzamide
CID 118308153
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 90405686
(3-pyrimidin-2-yl-2-pyridinyl)-[(1S,2R,4R)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
CID 118867985
3-cyclopropyl-N-[(1S,2S)-2-[(5-methylpyrazin-2-yl)amino]cyclopentyl]pyridine-2-carboxamide
CID 118317093
(3-pyrimidin-2-yl-2-pyridinyl)-[(1S,4S,6R)-6-[[5-(trifluoromethyl)pyrazin-2-yl]amino]-2-azabicyclo[2.2.1]heptan-2-yl]methanone
CID 118876901
N-[(1S,2S)-2-[(5-methyl-2-pyridinyl)amino]cyclopentyl]-3-pyrazol-1-ylpyridine-2-carboxamide
CID 118317129
methyl 2-[[3-(trifluoromethyl)pyridine-2-carbonyl]amino]cycloheptane-1-carboxylate
CID 75440536
N-[2-(chloromethyl)cyclohexyl]-3-methylpyridine-2-carboxamide
CID 114179571
2-(difluoromethyl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]benzamide
CID 118308123
N-(2-chlorocycloheptyl)-3-methylpyridine-2-carboxamide
CID 113395039
2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(1S,2S)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclopentyl]benzamide
CID 118308053

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
The IUPAC name of N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide (CID 118326045) is N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide is Cc1nc(C(F)(F)F)cnc1N[C@H]1CCCC1NC(=O)c1ncccc1-c1ncccn1.
What is the InChIKey of N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
The InChIKey is HNNMNIHEWGQDKJ-MLCCFXAWSA-N. The full InChI is InChI=1S/C21H20F3N7O/c1-12-18(28-11-16(29-12)21(22,23)24)30-14-6-2-7-15(14)31-20(32)17-13(5-3-8-25-17)19-26-9-4-10-27-19/h3-5,8-11,14-15H,2,6-7H2,1H3,(H,28,30)(H,31,32)/t14-,15?/m0/s1.
What are the key properties of N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide?
N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-pyrimidin-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 118326045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).