N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide

C16H14F3N7O — CID 162496216

IUPACN-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ncnn1-c1ccc(N)cn1
InChIInChI=1S/C16H14F3N7O/c1-9(14-23-8-24-26(14)13-3-2-12(20)7-22-13)25-15(27)10-4-11(6-21-5-10)16(17,18)19/h2-9H,20H2,1H3,(H,25,27)/t9-/m0/s1
InChIKeyPLILWEWVTURNAN-VIFPVBQESA-N
MW377.33 g/mol
LogP2.15
Rot. Bonds4

About N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide

N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 162496216) has the molecular formula C16H14F3N7O and a molecular weight of 377.33 g/mol. Its IUPAC name is N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID162496216
Molecular FormulaC16H14F3N7O
Molecular Weight377.33 g/mol
Exact Mass377.12
IUPAC NameN-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide
SMILESC[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ncnn1-c1ccc(N)cn1
InChIInChI=1S/C16H14F3N7O/c1-9(14-23-8-24-26(14)13-3-2-12(20)7-22-13)25-15(27)10-4-11(6-21-5-10)16(17,18)19/h2-9H,20H2,1H3,(H,25,27)/t9-/m0/s1
InChIKeyPLILWEWVTURNAN-VIFPVBQESA-N
XLogP2.15
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide (CID 162496216) is N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide is C[C@H](NC(=O)c1cncc(C(F)(F)F)c1)c1ncnn1-c1ccc(N)cn1.
What is the InChIKey of N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is PLILWEWVTURNAN-VIFPVBQESA-N. The full InChI is InChI=1S/C16H14F3N7O/c1-9(14-23-8-24-26(14)13-3-2-12(20)7-22-13)25-15(27)10-4-11(6-21-5-10)16(17,18)19/h2-9H,20H2,1H3,(H,25,27)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide?
N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 377.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[2-(5-amino-2-pyridinyl)-1,2,4-triazol-3-yl]ethyl]-5-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 162496216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).