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

C25H35N5O — CID 46267959

IUPAC3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
SMILESCc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCCCC2)n1
InChIInChI=1S/C25H35N5O/c1-19-26-23(18-24(27-19)30-16-6-3-7-17-30)28-21-11-13-22(14-12-21)29-25(31)15-10-20-8-4-2-5-9-20/h11-14,18,20H,2-10,15-17H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyCLKMGNTZNQURLM-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.82
Rot. Bonds7

About 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide

3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide (PubChem CID 46267959) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
PubChem CID46267959
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide
SMILESCc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCCCC2)n1
InChIInChI=1S/C25H35N5O/c1-19-26-23(18-24(27-19)30-16-6-3-7-17-30)28-21-11-13-22(14-12-21)29-25(31)15-10-20-8-4-2-5-9-20/h11-14,18,20H,2-10,15-17H2,1H3,(H,29,31)(H,26,27,28)
InChIKeyCLKMGNTZNQURLM-UHFFFAOYSA-N
XLogP5.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
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N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]cyclopentanecarboxamide
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N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
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3-cyclopentyl-N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]propanamide
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N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]acetamide
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3-cyclopentyl-N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]propanamide
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3-cyclopentyl-N-[4-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)amino]phenyl]propanamide
CID 18566688
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
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1-(4-chlorophenyl)-3-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
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N-[4-[[6-(4-acetylpiperazin-1-yl)-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112871276
N-[4-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 122297137
N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]furan-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The IUPAC name of 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide (CID 46267959) is 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide.
What is the SMILES notation for 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The canonical SMILES for 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide is Cc1nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)cc(N2CCCCC2)n1.
What is the InChIKey of 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide?
The InChIKey is CLKMGNTZNQURLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-19-26-23(18-24(27-19)30-16-6-3-7-17-30)28-21-11-13-22(14-12-21)29-25(31)15-10-20-8-4-2-5-9-20/h11-14,18,20H,2-10,15-17H2,1H3,(H,29,31)(H,26,27,28).
What are the key properties of 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide?
3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide has a molecular weight of 421.59 g/mol, XLogP of 5.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-N-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]propanamide is sourced from PubChem (CID 46267959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).