2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide

C20H24N6O2 — CID 100625881

IUPAC2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCC[C@H](C)Oc1cc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)ccn1
InChIInChI=1S/C20H24N6O2/c1-5-14(2)28-18-11-15(9-10-21-18)19(27)23-16-7-6-8-17(12-16)26-13-22-20(24-26)25(3)4/h6-14H,5H2,1-4H3,(H,23,27)/t14-/m0/s1
InChIKeyKYNKMYAUJLZNDR-AWEZNQCLSA-N
MW380.45 g/mol
LogP3.16
Rot. Bonds7

About 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide

2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide (PubChem CID 100625881) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide
PubChem CID100625881
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide
SMILESCC[C@H](C)Oc1cc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)ccn1
InChIInChI=1S/C20H24N6O2/c1-5-14(2)28-18-11-15(9-10-21-18)19(27)23-16-7-6-8-17(12-16)26-13-22-20(24-26)25(3)4/h6-14H,5H2,1-4H3,(H,23,27)/t14-/m0/s1
InChIKeyKYNKMYAUJLZNDR-AWEZNQCLSA-N
XLogP3.16
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide with MolForge

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Related Compounds

2-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 62328427
N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]-2-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 166205999
6-propan-2-yloxy-N-(3-pyrazol-1-ylphenyl)pyridine-3-carboxamide
CID 51117263
4-acetyl-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]benzenesulfonamide
CID 99788218
2-[[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]carbamoylamino]cyclohexane-1-carboxamide
CID 102562757
3-butan-2-yloxy-N-(3-methylphenyl)benzamide
CID 17149681
methyl 3-[(3-butan-2-yloxyphenyl)carbamoyl]benzoate
CID 17175369
3-[(2S)-butan-2-yl]oxy-N-[3-(propanoylamino)phenyl]benzamide
CID 40976698
3-butan-2-yloxy-N-(3-chlorophenyl)benzamide
CID 17149674
3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid
CID 120532497
2-chloro-N-[3-(tetrazol-1-yl)phenyl]pyridine-4-carboxamide
CID 32696269
3-butan-2-yloxy-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]benzamide
CID 17219936

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide (CID 100625881) is 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide is CC[C@H](C)Oc1cc(C(=O)Nc2cccc(-n3cnc(N(C)C)n3)c2)ccn1.
What is the InChIKey of 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is KYNKMYAUJLZNDR-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-5-14(2)28-18-11-15(9-10-21-18)19(27)23-16-7-6-8-17(12-16)26-13-22-20(24-26)25(3)4/h6-14H,5H2,1-4H3,(H,23,27)/t14-/m0/s1.
What are the key properties of 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide?
2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-butan-2-yl]oxy-N-[3-[3-(dimethylamino)-1,2,4-triazol-1-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 100625881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).