2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide

C17H15N7O — CID 162653632

IUPAC2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide
SMILESCn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1
InChIInChI=1S/C17H15N7O/c1-24-10-14(9-21-24)22-16-8-15(19-11-20-16)12-3-2-4-13(7-12)23-17(25)5-6-18/h2-4,7-11H,5H2,1H3,(H,23,25)(H,19,20,22)
InChIKeyQITBTULMDCPZHG-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.47
Rot. Bonds5

About 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide

2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide (PubChem CID 162653632) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide
PubChem CID162653632
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC Name2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide
SMILESCn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1
InChIInChI=1S/C17H15N7O/c1-24-10-14(9-21-24)22-16-8-15(19-11-20-16)12-3-2-4-13(7-12)23-17(25)5-6-18/h2-4,7-11H,5H2,1H3,(H,23,25)(H,19,20,22)
InChIKeyQITBTULMDCPZHG-UHFFFAOYSA-N
XLogP2.47
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide (CID 162653632) is 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide is Cn1cc(Nc2cc(-c3cccc(NC(=O)CC#N)c3)ncn2)cn1.
What is the InChIKey of 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide?
The InChIKey is QITBTULMDCPZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-24-10-14(9-21-24)22-16-8-15(19-11-20-16)12-3-2-4-13(7-12)23-17(25)5-6-18/h2-4,7-11H,5H2,1H3,(H,23,25)(H,19,20,22).
What are the key properties of 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide?
2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[6-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 162653632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).