6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide

C19H28N4O2 — CID 110110378

IUPAC6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(CC2CCCN(C(=O)CC3CCCC3)CC2)ncn1
InChIInChI=1S/C19H28N4O2/c20-19(25)17-12-16(21-13-22-17)10-15-6-3-8-23(9-7-15)18(24)11-14-4-1-2-5-14/h12-15H,1-11H2,(H2,20,25)
InChIKeyLFMGFAFSIRCPRK-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.33
Rot. Bonds5

About 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide

6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 110110378) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
PubChem CID110110378
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(CC2CCCN(C(=O)CC3CCCC3)CC2)ncn1
InChIInChI=1S/C19H28N4O2/c20-19(25)17-12-16(21-13-22-17)10-15-6-3-8-23(9-7-15)18(24)11-14-4-1-2-5-14/h12-15H,1-11H2,(H2,20,25)
InChIKeyLFMGFAFSIRCPRK-UHFFFAOYSA-N
XLogP2.33
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124947519
6-[[1-[2-(4-fluorophenyl)acetyl]azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 110110360
6-[[(4S)-1-benzoylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124986245
6-[[1-[(3,5-difluorophenyl)methyl]azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 110110623
6-[[(4S)-1-[(3,5-difluorophenyl)methyl]azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 125006773
6-[[(4S)-1-pyrimidin-4-ylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124989944
6-[[(4S)-1-(pyrazin-2-ylmethyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124947582
1-[(4R)-4-[(5-aminopyrazin-2-yl)methyl]azepan-1-yl]-2-(oxan-4-yl)ethanone
CID 124991729
1-(4-benzylpiperidin-1-yl)-2-cyclopentylethanone
CID 127122886
2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
CID 95815453
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
1-[4-[(6-tert-butylpyrimidin-4-yl)methyl]piperidin-1-yl]propan-1-one
CID 118546910

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide (CID 110110378) is 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide is NC(=O)c1cc(CC2CCCN(C(=O)CC3CCCC3)CC2)ncn1.
What is the InChIKey of 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is LFMGFAFSIRCPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c20-19(25)17-12-16(21-13-22-17)10-15-6-3-8-23(9-7-15)18(24)11-14-4-1-2-5-14/h12-15H,1-11H2,(H2,20,25).
What are the key properties of 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 110110378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).