N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide

C23H25N5O3 — CID 166342281

IUPACN-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cn1
InChIInChI=1S/C23H25N5O3/c1-15(2)28-14-17(13-25-28)21-20(8-11-31-21)23(30)27-19-5-3-4-18(12-19)26-22(29)16-6-9-24-10-7-16/h3-7,9-10,12-15,20-21H,8,11H2,1-2H3,(H,26,29)(H,27,30)/t20-,21+/m1/s1
InChIKeyXYWPHEATXURLOZ-RTWAWAEBSA-N
MW419.49 g/mol
LogP3.83
Rot. Bonds6

About N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide

N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide (PubChem CID 166342281) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide
PubChem CID166342281
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide
SMILESCC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cn1
InChIInChI=1S/C23H25N5O3/c1-15(2)28-14-17(13-25-28)21-20(8-11-31-21)23(30)27-19-5-3-4-18(12-19)26-22(29)16-6-9-24-10-7-16/h3-7,9-10,12-15,20-21H,8,11H2,1-2H3,(H,26,29)(H,27,30)/t20-,21+/m1/s1
InChIKeyXYWPHEATXURLOZ-RTWAWAEBSA-N
XLogP3.83
TPSA98.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3R)-N-(2,2-dimethyl-3H-1-benzofuran-5-yl)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
CID 166324211
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
(2S,3S)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
CID 128969422
(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 128972997
3-[3-[[(2R,3R)-2-pyridin-4-yloxolane-3-carbonyl]amino]phenyl]propanoic acid
CID 138045892
(2S,3S)-2-(1-methylpyrazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)oxolane-3-carboxamide
CID 128992514
(2S,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolan-3-amine;dihydrochloride
CID 122155807
(2S,3S)-N-(1-methyl-6-oxo-3-pyridinyl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966167
N-[3-(1-methylpyrazol-4-yl)phenyl]pyridine-4-carboxamide
CID 110482049
(2S,3S)-N-(4-methyl-1,3-thiazol-2-yl)-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128967401
2-amino-N-(1-propan-2-ylpyrazol-4-yl)cyclopentane-1-carboxamide
CID 64824835

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide (CID 166342281) is N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide is CC(C)n1cc([C@@H]2OCC[C@H]2C(=O)Nc2cccc(NC(=O)c3ccncc3)c2)cn1.
What is the InChIKey of N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide?
The InChIKey is XYWPHEATXURLOZ-RTWAWAEBSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15(2)28-14-17(13-25-28)21-20(8-11-31-21)23(30)27-19-5-3-4-18(12-19)26-22(29)16-6-9-24-10-7-16/h3-7,9-10,12-15,20-21H,8,11H2,1-2H3,(H,26,29)(H,27,30)/t20-,21+/m1/s1.
What are the key properties of N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide?
N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carbonyl]amino]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 166342281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).