N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide

C23H25N5O — CID 90906951

IUPACN-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)cc1Nc1nccc(-c2ccncc2)n1
InChIInChI=1S/C23H25N5O/c1-16-7-8-19(26-22(29)18-5-3-2-4-6-18)15-21(16)28-23-25-14-11-20(27-23)17-9-12-24-13-10-17/h7-15,18H,2-6H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyHREQCKHTXNFMJY-UHFFFAOYSA-N
MW387.49 g/mol
LogP5.11
Rot. Bonds5

About N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide

N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide (PubChem CID 90906951) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide
PubChem CID90906951
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide
SMILESCc1ccc(NC(=O)C2CCCCC2)cc1Nc1nccc(-c2ccncc2)n1
InChIInChI=1S/C23H25N5O/c1-16-7-8-19(26-22(29)18-5-3-2-4-6-18)15-21(16)28-23-25-14-11-20(27-23)17-9-12-24-13-10-17/h7-15,18H,2-6H2,1H3,(H,26,29)(H,25,27,28)
InChIKeyHREQCKHTXNFMJY-UHFFFAOYSA-N
XLogP5.11
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.49
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]phenyl]cyclohexanecarboxamide
CID 159909500
N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-sulfonamide
CID 91297277
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 59198168
4-[(7-chloroquinolin-4-yl)amino]-N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 71656594
N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]-4-(1-piperidin-4-ylethyl)-2-(trifluoromethyl)benzamide
CID 174502926
1-(4-chlorophenyl)-3-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]urea
CID 135393863
N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]butanamide
CID 20772083
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
N-[3-[[4-(4-imidazol-1-ylphenyl)pyrimidin-2-yl]amino]-4-methylphenyl]-4-methylbenzamide
CID 11518257
4-bromo-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 177190731
N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]cyclopentanecarboxamide
CID 7532653
N-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamothioyl]naphthalene-2-carboxamide
CID 71304469

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide (CID 90906951) is N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide is Cc1ccc(NC(=O)C2CCCCC2)cc1Nc1nccc(-c2ccncc2)n1.
What is the InChIKey of N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
The InChIKey is HREQCKHTXNFMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-7-8-19(26-22(29)18-5-3-2-4-6-18)15-21(16)28-23-25-14-11-20(27-23)17-9-12-24-13-10-17/h7-15,18H,2-6H2,1H3,(H,26,29)(H,25,27,28).
What are the key properties of N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide?
N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide has a molecular weight of 387.49 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-[(4-pyridin-4-ylpyrimidin-2-yl)amino]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 90906951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).