N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

C18H23N5O — CID 50748367

IUPACN-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H23N5O/c1-13-19-17(12-18(20-13)23-10-4-3-5-11-23)22-16-8-6-15(7-9-16)21-14(2)24/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyYYDNNLKGFCLMNU-UHFFFAOYSA-N
MW325.42 g/mol
LogP3.48
Rot. Bonds4

About N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide

N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (PubChem CID 50748367) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
PubChem CID50748367
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1
InChIInChI=1S/C18H23N5O/c1-13-19-17(12-18(20-13)23-10-4-3-5-11-23)22-16-8-6-15(7-9-16)21-14(2)24/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)(H,19,20,22)
InChIKeyYYDNNLKGFCLMNU-UHFFFAOYSA-N
XLogP3.48
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
CID 50748481
N-[4-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871276
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide
CID 50748406
1-(4-chlorophenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50747982
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
CID 46267979
2-fluoro-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 46267964
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 46267959
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-4-methylsulfanylbenzamide
CID 122297128
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172
N-(4-methoxyphenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 112868530
dimethyl (E)-2-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]anilino]but-2-enedioate
CID 168567390

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide (CID 50748367) is N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(N3CCCCC3)nc(C)n2)cc1.
What is the InChIKey of N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
The InChIKey is YYDNNLKGFCLMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-19-17(12-18(20-13)23-10-4-3-5-11-23)22-16-8-6-15(7-9-16)21-14(2)24/h6-9,12H,3-5,10-11H2,1-2H3,(H,21,24)(H,19,20,22).
What are the key properties of N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide?
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide has a molecular weight of 325.42 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide is sourced from PubChem (CID 50748367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).