3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

C25H35N5O — CID 92618269

IUPAC3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C25H35N5O/c1-29(2)25-27-16-22(20-9-6-10-21(15-20)24(26)31)23(28-25)19-11-13-30(14-12-19)17-18-7-4-3-5-8-18/h6,9-10,15-16,18-19H,3-5,7-8,11-14,17H2,1-2H3,(H2,26,31)
InChIKeyRKPFNIQVYQBPSF-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.07
Rot. Bonds6

About 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide (PubChem CID 92618269) has the molecular formula C25H35N5O and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
PubChem CID92618269
Molecular FormulaC25H35N5O
Molecular Weight421.59 g/mol
Exact Mass421.28
IUPAC Name3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(CC3CCCCC3)CC2)n1
InChIInChI=1S/C25H35N5O/c1-29(2)25-27-16-22(20-9-6-10-21(15-20)24(26)31)23(28-25)19-11-13-30(14-12-19)17-18-7-4-3-5-8-18/h6,9-10,15-16,18-19H,3-5,7-8,11-14,17H2,1-2H3,(H2,26,31)
InChIKeyRKPFNIQVYQBPSF-UHFFFAOYSA-N
XLogP4.07
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 92618231
3-[2-(dimethylamino)-4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyrimidin-5-yl]benzamide
CID 92617594
3-[4-[1-(3-chloropropanoyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 175656077
3-[2-(dimethylamino)-4-[1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]pyrimidin-5-yl]benzamide
CID 127248673
3-[2-(dimethylamino)-4-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]pyrimidin-5-yl]benzamide
CID 129360745
3-[4-[1-[4-(azepan-1-yl)butanoyl]piperidin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 110152850
3-[2-(dimethylamino)-4-pyrrolidin-3-ylpyrimidin-5-yl]benzamide;hydrochloride
CID 71298577
3-[2-(dimethylamino)-4-[1-[(4-fluorophenyl)methyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110266291
3-[4-[4-[2-(azetidin-1-yl)-2-oxoethyl]morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 127248883
3-[2-(dimethylamino)-4-[(2R)-1-[2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 124990633
4-[4-[1-(2-cyclopentylacetyl)piperidin-3-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide
CID 110266504
3-[2-(dimethylamino)-4-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]pyrimidin-5-yl]benzamide
CID 110122693

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide (CID 92618269) is 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide is CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CCN(CC3CCCCC3)CC2)n1.
What is the InChIKey of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
The InChIKey is RKPFNIQVYQBPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N5O/c1-29(2)25-27-16-22(20-9-6-10-21(15-20)24(26)31)23(28-25)19-11-13-30(14-12-19)17-18-7-4-3-5-8-18/h6,9-10,15-16,18-19H,3-5,7-8,11-14,17H2,1-2H3,(H2,26,31).
What are the key properties of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide?
3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide has a molecular weight of 421.59 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 92618269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).