6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide

C13H18N6O2 — CID 125170254

IUPAC6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
SMILESCOCCn1cnnc1[C@@H](C)NC(=O)c1ccc(N)nc1
InChIInChI=1S/C13H18N6O2/c1-9(12-18-16-8-19(12)5-6-21-2)17-13(20)10-3-4-11(14)15-7-10/h3-4,7-9H,5-6H2,1-2H3,(H2,14,15)(H,17,20)/t9-/m1/s1
InChIKeyYKCIVYXDNQSZOK-SECBINFHSA-N
MW290.33 g/mol
LogP0.39
Rot. Bonds6

About 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide

6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide (PubChem CID 125170254) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
PubChem CID125170254
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC Name6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide
SMILESCOCCn1cnnc1[C@@H](C)NC(=O)c1ccc(N)nc1
InChIInChI=1S/C13H18N6O2/c1-9(12-18-16-8-19(12)5-6-21-2)17-13(20)10-3-4-11(14)15-7-10/h3-4,7-9H,5-6H2,1-2H3,(H2,14,15)(H,17,20)/t9-/m1/s1
InChIKeyYKCIVYXDNQSZOK-SECBINFHSA-N
XLogP0.39
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-sulfamoylbenzamide
CID 99958080
4-(cyclobutanecarbonylamino)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 95120085
N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443313
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 126443312
5-ethyl-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178759
5-ethyl-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-1H-pyrazole-4-carboxamide
CID 125178761
3-(4-hydroxyphenyl)-N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]propanamide
CID 125177563
2-chloro-4-fluoro-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 91770169
3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 125166274
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 118794327
2-acetamido-N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-methylpropanamide
CID 121494830
N-[(1S)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 126433181

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide (CID 125170254) is 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide is COCCn1cnnc1[C@@H](C)NC(=O)c1ccc(N)nc1.
What is the InChIKey of 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide?
The InChIKey is YKCIVYXDNQSZOK-SECBINFHSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-9(12-18-16-8-19(12)5-6-21-2)17-13(20)10-3-4-11(14)15-7-10/h3-4,7-9H,5-6H2,1-2H3,(H2,14,15)(H,17,20)/t9-/m1/s1.
What are the key properties of 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide?
6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 125170254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).