N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide

C21H27N7O2 — CID 121427037

IUPACN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C21H27N7O2/c1-5-27(15-14-26(4)18-10-6-9-17(25-18)21(2,3)30)20(29)19-16(8-7-11-22-19)28-23-12-13-24-28/h6-13,30H,5,14-15H2,1-4H3
InChIKeyBVCWWOHSXWXVOE-UHFFFAOYSA-N
MW409.49 g/mol
LogP1.88
Rot. Bonds8

About N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide

N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 121427037) has the molecular formula C21H27N7O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID121427037
Molecular FormulaC21H27N7O2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC NameN-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ncccc1-n1nccn1
InChIInChI=1S/C21H27N7O2/c1-5-27(15-14-26(4)18-10-6-9-17(25-18)21(2,3)30)20(29)19-16(8-7-11-22-19)28-23-12-13-24-28/h6-13,30H,5,14-15H2,1-4H3
InChIKeyBVCWWOHSXWXVOE-UHFFFAOYSA-N
XLogP1.88
TPSA100.27 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide (CID 121427037) is N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide is CCN(CCN(C)c1cccc(C(C)(C)O)n1)C(=O)c1ncccc1-n1nccn1.
What is the InChIKey of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is BVCWWOHSXWXVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O2/c1-5-27(15-14-26(4)18-10-6-9-17(25-18)21(2,3)30)20(29)19-16(8-7-11-22-19)28-23-12-13-24-28/h6-13,30H,5,14-15H2,1-4H3.
What are the key properties of N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide?
N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-[[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-methylamino]ethyl]-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 121427037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).