2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide

C20H17N5O — CID 108759716

IUPAC2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1nc(Nc2cccc(NC(=O)CC#N)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H17N5O/c1-14-22-18(15-6-3-2-4-7-15)13-19(23-14)24-16-8-5-9-17(12-16)25-20(26)10-11-21/h2-9,12-13H,10H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyNVXTWSFQRZBSBN-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.05
Rot. Bonds5

About 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide

2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 108759716) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID108759716
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCc1nc(Nc2cccc(NC(=O)CC#N)c2)cc(-c2ccccc2)n1
InChIInChI=1S/C20H17N5O/c1-14-22-18(15-6-3-2-4-7-15)13-19(23-14)24-16-8-5-9-17(12-16)25-20(26)10-11-21/h2-9,12-13H,10H2,1H3,(H,25,26)(H,22,23,24)
InChIKeyNVXTWSFQRZBSBN-UHFFFAOYSA-N
XLogP4.05
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]propanamide
CID 108736842
N-(3-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808442
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797307
N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]-4-propan-2-ylbenzamide
CID 108736802
2,5-difluoro-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108736855
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-naphthalen-1-ylbenzamide
CID 108797255
N-(4-acetamidophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108797118
N-(2-acetamidoethyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808500
3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]-N-(6-methyl-2-pyridinyl)benzamide
CID 108808501
N-(2-bromophenyl)-3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]benzamide
CID 108808430
1-N-(2-methyl-6-phenylpyrimidin-4-yl)-3-N-pyrimidin-2-ylbenzene-1,3-diamine
CID 108775245
[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl] propanoate
CID 9149585

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide (CID 108759716) is 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide is Cc1nc(Nc2cccc(NC(=O)CC#N)c2)cc(-c2ccccc2)n1.
What is the InChIKey of 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is NVXTWSFQRZBSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-14-22-18(15-6-3-2-4-7-15)13-19(23-14)24-16-8-5-9-17(12-16)25-20(26)10-11-21/h2-9,12-13H,10H2,1H3,(H,25,26)(H,22,23,24).
What are the key properties of 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide?
2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 343.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[3-[(2-methyl-6-phenylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 108759716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).