N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide

C19H21ClN6O2 — CID 138555467

IUPACN-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ccc(Cl)cn1
InChIInChI=1S/C19H21ClN6O2/c1-4-25(14(3)12-28-17-8-6-15(20)11-21-17)19(27)18-16(7-5-13(2)24-18)26-22-9-10-23-26/h5-11,14H,4,12H2,1-3H3/t14-/m0/s1
InChIKeyPHSGMEOBOKWBOS-AWEZNQCLSA-N
MW400.87 g/mol
LogP2.95
Rot. Bonds7

About N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide

N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide (PubChem CID 138555467) has the molecular formula C19H21ClN6O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
PubChem CID138555467
Molecular FormulaC19H21ClN6O2
Molecular Weight400.87 g/mol
Exact Mass400.14
IUPAC NameN-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
SMILESCCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ccc(Cl)cn1
InChIInChI=1S/C19H21ClN6O2/c1-4-25(14(3)12-28-17-8-6-15(20)11-21-17)19(27)18-16(7-5-13(2)24-18)26-22-9-10-23-26/h5-11,14H,4,12H2,1-3H3/t14-/m0/s1
InChIKeyPHSGMEOBOKWBOS-AWEZNQCLSA-N
XLogP2.95
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide (CID 138555467) is N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide is CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)COc1ccc(Cl)cn1.
What is the InChIKey of N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
The InChIKey is PHSGMEOBOKWBOS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21ClN6O2/c1-4-25(14(3)12-28-17-8-6-15(20)11-21-17)19(27)18-16(7-5-13(2)24-18)26-22-9-10-23-26/h5-11,14H,4,12H2,1-3H3/t14-/m0/s1.
What are the key properties of N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide?
N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(5-chloro-2-pyridinyl)oxy]propan-2-yl]-N-ethyl-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 138555467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).