N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide

C24H32N4O2 — CID 98073104

IUPACN,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CC(=O)NCC2CCC(c3nc(C)ncc3C(=O)N(C)C)CC2)c1
InChIInChI=1S/C24H32N4O2/c1-16-6-5-7-19(12-16)13-22(29)26-14-18-8-10-20(11-9-18)23-21(24(30)28(3)4)15-25-17(2)27-23/h5-7,12,15,18,20H,8-11,13-14H2,1-4H3,(H,26,29)
InChIKeyGPSVULVQWSJRHL-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.43
Rot. Bonds6

About N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide

N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide (PubChem CID 98073104) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide
PubChem CID98073104
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide
SMILESCc1cccc(CC(=O)NCC2CCC(c3nc(C)ncc3C(=O)N(C)C)CC2)c1
InChIInChI=1S/C24H32N4O2/c1-16-6-5-7-19(12-16)13-22(29)26-14-18-8-10-20(11-9-18)23-21(24(30)28(3)4)15-25-17(2)27-23/h5-7,12,15,18,20H,8-11,13-14H2,1-4H3,(H,26,29)
InChIKeyGPSVULVQWSJRHL-UHFFFAOYSA-N
XLogP3.43
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[4-[5-(dimethylcarbamoyl)-2-methylpyrimidin-4-yl]cyclohexyl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 98072822
N-[[4-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]cyclohexyl]methyl]-2-(3-methylphenyl)acetamide
CID 98133635
N-(cyclopropylmethyl)-2-[3-(dimethylcarbamoylamino)phenyl]acetamide
CID 54323644
2-(3-methylphenyl)-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]acetamide
CID 86263544
N-[(3,5-dimethylphenyl)methyl]-2-methyl-4-[1-(2-phenylethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 118378041
2-(3-methylphenyl)-N-[[1-(pyridin-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896062
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(3-methylphenyl)acetamide
CID 121137861
2-(3-aminophenyl)-N-(cyclopropylmethyl)acetamide
CID 28689695
2-(cyclopropylmethylamino)-N-[(3-methylphenyl)methyl]acetamide
CID 60915187
4-cyclopropyl-N-[(1R,2S)-1-(dimethylamino)-1-phenylpropan-2-yl]-2-methylpyrimidine-5-carboxamide
CID 129480454
3-methoxy-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98133554
N-(cyclopropylmethyl)-4-(N-methylanilino)-2-(3-methylphenyl)pyrimidine-5-carboxamide
CID 42670889

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide?
The IUPAC name of N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide (CID 98073104) is N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide.
What is the SMILES notation for N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide?
The canonical SMILES for N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide is Cc1cccc(CC(=O)NCC2CCC(c3nc(C)ncc3C(=O)N(C)C)CC2)c1.
What is the InChIKey of N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide?
The InChIKey is GPSVULVQWSJRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-6-5-7-19(12-16)13-22(29)26-14-18-8-10-20(11-9-18)23-21(24(30)28(3)4)15-25-17(2)27-23/h5-7,12,15,18,20H,8-11,13-14H2,1-4H3,(H,26,29).
What are the key properties of N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide?
N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-[4-[[[2-(3-methylphenyl)acetyl]amino]methyl]cyclohexyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 98073104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).