2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide

C17H23N5O2 — CID 120793438

IUPAC2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
SMILESCn1cc(Nc2cccc(NC(=O)C(N)C3CCOCC3)c2)cn1
InChIInChI=1S/C17H23N5O2/c1-22-11-15(10-19-22)20-13-3-2-4-14(9-13)21-17(23)16(18)12-5-7-24-8-6-12/h2-4,9-12,16,20H,5-8,18H2,1H3,(H,21,23)
InChIKeyCUDPRCHZZBQAON-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.86
Rot. Bonds5

About 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide

2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide (PubChem CID 120793438) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
PubChem CID120793438
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide
SMILESCn1cc(Nc2cccc(NC(=O)C(N)C3CCOCC3)c2)cn1
InChIInChI=1S/C17H23N5O2/c1-22-11-15(10-19-22)20-13-3-2-4-14(9-13)21-17(23)16(18)12-5-7-24-8-6-12/h2-4,9-12,16,20H,5-8,18H2,1H3,(H,21,23)
InChIKeyCUDPRCHZZBQAON-UHFFFAOYSA-N
XLogP1.86
TPSA94.20 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
4-(aminomethyl)-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]oxane-4-carboxamide
CID 120932952
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-2-(oxan-4-yl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 120790126
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]cyclopent-3-ene-1-carboxamide
CID 71979985
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
1-[3-[(1-methylpyrazol-4-yl)amino]phenyl]ethanone
CID 82536724

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide (CID 120793438) is 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide is Cn1cc(Nc2cccc(NC(=O)C(N)C3CCOCC3)c2)cn1.
What is the InChIKey of 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide?
The InChIKey is CUDPRCHZZBQAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22-11-15(10-19-22)20-13-3-2-4-14(9-13)21-17(23)16(18)12-5-7-24-8-6-12/h2-4,9-12,16,20H,5-8,18H2,1H3,(H,21,23).
What are the key properties of 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-[(1-methylpyrazol-4-yl)amino]phenyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120793438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).