2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

C19H26N4O4 — CID 120533619

IUPAC2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(CCOC(C)(C)C)C(=O)O)cn2)n1
InChIInChI=1S/C19H26N4O4/c1-12-10-13(2)23(22-12)16-7-6-14(11-20-16)17(24)21-15(18(25)26)8-9-27-19(3,4)5/h6-7,10-11,15H,8-9H2,1-5H3,(H,21,24)(H,25,26)
InChIKeyCGFCUZSJTSBPKA-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.27
Rot. Bonds7

About 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid

2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (PubChem CID 120533619) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.

Molecular Properties

Compound Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
PubChem CID120533619
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
SMILESCc1cc(C)n(-c2ccc(C(=O)NC(CCOC(C)(C)C)C(=O)O)cn2)n1
InChIInChI=1S/C19H26N4O4/c1-12-10-13(2)23(22-12)16-7-6-14(11-20-16)17(24)21-15(18(25)26)8-9-27-19(3,4)5/h6-7,10-11,15H,8-9H2,1-5H3,(H,21,24)(H,25,26)
InChIKeyCGFCUZSJTSBPKA-UHFFFAOYSA-N
XLogP2.27
TPSA106.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid with MolForge

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Related Compounds

tert-butyl N-[1-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-methylbutan-2-yl]carbamate
CID 86956679
6-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-4,4-dimethylpentyl]pyridine-3-carboxamide
CID 95629528
6-(3,5-dimethylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 38024335
2-[(6-cyclopentyloxypyridine-3-carbonyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533664
2-[[1-(4-methoxyphenyl)-5-methylpyrazole-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533637
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(ethylamino)-2-oxoethyl]pyridine-3-carboxamide
CID 86980602
6-(3,5-dimethylpyrazol-1-yl)-N-[2-methyl-1-(methylamino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 166281433
2-[(4-chloro-3-fluorobenzoyl)amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533737
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(methylamino)propyl]pyridine-3-carboxamide
CID 120827441
3-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-3-ethylpentanoic acid
CID 120532455
N-(3-aminobutyl)-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide;dihydrochloride
CID 119498289
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid (CID 120533619) is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid.
What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is Cc1cc(C)n(-c2ccc(C(=O)NC(CCOC(C)(C)C)C(=O)O)cn2)n1.
What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
The InChIKey is CGFCUZSJTSBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-12-10-13(2)23(22-12)16-7-6-14(11-20-16)17(24)21-15(18(25)26)8-9-27-19(3,4)5/h6-7,10-11,15H,8-9H2,1-5H3,(H,21,24)(H,25,26).
What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid?
2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid has a molecular weight of 374.44 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid is sourced from PubChem (CID 120533619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).