N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide

C17H22N4O2 — CID 97254283

IUPACN-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)CCO1
InChIInChI=1S/C17H22N4O2/c1-12-8-15(6-7-23-12)20-17(22)13-4-3-5-14(9-13)19-16-10-18-21(2)11-16/h3-5,9-12,15,19H,6-8H2,1-2H3,(H,20,22)/t12-,15-/m1/s1
InChIKeyOFCJNJFCFZUEOV-IUODEOHRSA-N
MW314.39 g/mol
LogP2.46
Rot. Bonds4

About N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide

N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide (PubChem CID 97254283) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide.

Molecular Properties

Compound NameN-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
PubChem CID97254283
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)CCO1
InChIInChI=1S/C17H22N4O2/c1-12-8-15(6-7-23-12)20-17(22)13-4-3-5-14(9-13)19-16-10-18-21(2)11-16/h3-5,9-12,15,19H,6-8H2,1-2H3,(H,20,22)/t12-,15-/m1/s1
InChIKeyOFCJNJFCFZUEOV-IUODEOHRSA-N
XLogP2.46
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724
N-[2-(dimethylamino)pyrimidin-5-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide
CID 75387829
1-cyclopropylethyl 3-[(1-methylpyrazol-4-yl)amino]benzoate
CID 71906087
[(2S,6S)-2,6-dimethylthiomorpholin-4-yl]-[3-[(1-methylpyrazol-4-yl)amino]phenyl]methanone
CID 97235719
4-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103889446
2,6-dichloro-N-(2-methyloxan-4-yl)pyridine-4-carboxamide
CID 113346380
4-bromo-3-hydroxy-N-(2-methyloxan-4-yl)benzamide
CID 103890717
4-bromo-3-methyl-N-(2-methyloxan-4-yl)benzamide
CID 103888174
3,5-dibromo-N-(2-methyloxan-4-yl)benzamide
CID 103908540
3-[2-[(2-methyloxan-4-yl)amino]-2-oxoethyl]benzoic acid
CID 120550350
1-(3-aminophenyl)-3-(2-methyloxan-4-yl)urea
CID 114108461
4-fluoro-N-(2-methyloxan-4-yl)-3-(trifluoromethyl)benzamide
CID 103888185

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The IUPAC name of N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide (CID 97254283) is N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide.
What is the SMILES notation for N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The canonical SMILES for N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide is C[C@@H]1C[C@H](NC(=O)c2cccc(Nc3cnn(C)c3)c2)CCO1.
What is the InChIKey of N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
The InChIKey is OFCJNJFCFZUEOV-IUODEOHRSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-8-15(6-7-23-12)20-17(22)13-4-3-5-14(9-13)19-16-10-18-21(2)11-16/h3-5,9-12,15,19H,6-8H2,1-2H3,(H,20,22)/t12-,15-/m1/s1.
What are the key properties of N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide?
N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4R)-2-methyloxan-4-yl]-3-[(1-methylpyrazol-4-yl)amino]benzamide is sourced from PubChem (CID 97254283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).