N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide

C19H19F3N8O — CID 118308165

IUPACN-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C19H19F3N8O/c1-11-17(24-10-15(27-11)19(20,21)22)28-12-4-2-5-13(12)29-18(31)16-14(6-3-7-23-16)30-25-8-9-26-30/h3,6-10,12-13H,2,4-5H2,1H3,(H,24,28)(H,29,31)/t12-,13-/m0/s1
InChIKeyKVMCNVWYIACSPG-STQMWFEESA-N
MW432.41 g/mol
LogP2.54
Rot. Bonds5

About N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide

N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 118308165) has the molecular formula C19H19F3N8O and a molecular weight of 432.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID118308165
Molecular FormulaC19H19F3N8O
Molecular Weight432.41 g/mol
Exact Mass432.16
IUPAC NameN-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C19H19F3N8O/c1-11-17(24-10-15(27-11)19(20,21)22)28-12-4-2-5-13(12)29-18(31)16-14(6-3-7-23-16)30-25-8-9-26-30/h3,6-10,12-13H,2,4-5H2,1H3,(H,24,28)(H,29,31)/t12-,13-/m0/s1
InChIKeyKVMCNVWYIACSPG-STQMWFEESA-N
XLogP2.54
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide (CID 118308165) is N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide is Cc1nc(C(F)(F)F)cnc1N[C@H]1CCC[C@@H]1NC(=O)c1ncccc1-n1nccn1.
What is the InChIKey of N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is KVMCNVWYIACSPG-STQMWFEESA-N. The full InChI is InChI=1S/C19H19F3N8O/c1-11-17(24-10-15(27-11)19(20,21)22)28-12-4-2-5-13(12)29-18(31)16-14(6-3-7-23-16)30-25-8-9-26-30/h3,6-10,12-13H,2,4-5H2,1H3,(H,24,28)(H,29,31)/t12-,13-/m0/s1.
What are the key properties of N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 432.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[3-methyl-5-(trifluoromethyl)pyrazin-2-yl]amino]cyclopentyl]-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118308165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).