N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide

C20H25N5O2 — CID 72840289

IUPACN-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
SMILESCc1cc(C)nc(CNC(=O)Nc2cccc(NC(=O)C3CCCC3)c2)n1
InChIInChI=1S/C20H25N5O2/c1-13-10-14(2)23-18(22-13)12-21-20(27)25-17-9-5-8-16(11-17)24-19(26)15-6-3-4-7-15/h5,8-11,15H,3-4,6-7,12H2,1-2H3,(H,24,26)(H2,21,25,27)
InChIKeyGDEHLWLEIWZGPU-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.54
Rot. Bonds5

About N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide

N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide (PubChem CID 72840289) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
PubChem CID72840289
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide
SMILESCc1cc(C)nc(CNC(=O)Nc2cccc(NC(=O)C3CCCC3)c2)n1
InChIInChI=1S/C20H25N5O2/c1-13-10-14(2)23-18(22-13)12-21-20(27)25-17-9-5-8-16(11-17)24-19(26)15-6-3-4-7-15/h5,8-11,15H,3-4,6-7,12H2,1-2H3,(H,24,26)(H2,21,25,27)
InChIKeyGDEHLWLEIWZGPU-UHFFFAOYSA-N
XLogP3.54
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-[3-(dimethylsulfamoylamino)phenyl]urea
CID 72918904
N-[3-(1H-imidazol-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 75438864
N-[3-[[(4-methoxyphenyl)carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 30940006
N-(3-acetamidophenyl)cyclobutanecarboxamide
CID 2666370
4-[[3-(cyclohexanecarbonylamino)phenyl]carbamoylamino]-4-methylpentanoic acid
CID 122086280
N-[3-(butanoylamino)phenyl]cyclopentanecarboxamide
CID 47309445
N-[3-[(2,2,2-trifluoroacetyl)amino]phenyl]cyclopentanecarboxamide
CID 108933365
N-[3-[[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]methyl]phenyl]cyclopentanecarboxamide
CID 133396952
N-[3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclohexanecarboxamide
CID 136734003
N-[3-[(2-methoxyacetyl)amino]phenyl]cyclohexanecarboxamide
CID 47022982
3-(cyclopentanecarbonylamino)-N,N-dimethylbenzamide
CID 29331430
1-[[3-(cyclohexanecarbonylamino)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 120551523

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide?
The IUPAC name of N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide (CID 72840289) is N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide is Cc1cc(C)nc(CNC(=O)Nc2cccc(NC(=O)C3CCCC3)c2)n1.
What is the InChIKey of N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide?
The InChIKey is GDEHLWLEIWZGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-13-10-14(2)23-18(22-13)12-21-20(27)25-17-9-5-8-16(11-17)24-19(26)15-6-3-4-7-15/h5,8-11,15H,3-4,6-7,12H2,1-2H3,(H,24,26)(H2,21,25,27).
What are the key properties of N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide?
N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,6-dimethylpyrimidin-2-yl)methylcarbamoylamino]phenyl]cyclopentanecarboxamide is sourced from PubChem (CID 72840289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).