6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide

C17H24N4O2 — CID 124947519

IUPAC6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCC3)CC2)ncn1
InChIInChI=1S/C17H24N4O2/c18-16(22)15-10-14(19-11-20-15)9-12-3-2-7-21(8-6-12)17(23)13-4-1-5-13/h10-13H,1-9H2,(H2,18,22)/t12-/m1/s1
InChIKeyCGGDSSHOIFTGAG-GFCCVEGCSA-N
MW316.40 g/mol
LogP1.55
Rot. Bonds4

About 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide

6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 124947519) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
PubChem CID124947519
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCC3)CC2)ncn1
InChIInChI=1S/C17H24N4O2/c18-16(22)15-10-14(19-11-20-15)9-12-3-2-7-21(8-6-12)17(23)13-4-1-5-13/h10-13H,1-9H2,(H2,18,22)/t12-/m1/s1
InChIKeyCGGDSSHOIFTGAG-GFCCVEGCSA-N
XLogP1.55
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(2-cyclopentylacetyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 110110378
6-[[(4S)-1-benzoylazepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124986245
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
6-[[1-[2-(4-fluorophenyl)acetyl]azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 110110360
6-[[(4S)-1-(pyrazin-2-ylmethyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide
CID 124947582
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
cyclobutyl-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 125025489
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458
(4-butylcyclohexyl)-[4-[1-[6-(cyclopropylmethyl)pyrimidin-4-yl]pyrrolidin-2-yl]piperidin-1-yl]methanone
CID 166318916
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254

Frequently Asked Questions

What is the IUPAC name of 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide (CID 124947519) is 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide is NC(=O)c1cc(C[C@@H]2CCCN(C(=O)C3CCC3)CC2)ncn1.
What is the InChIKey of 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is CGGDSSHOIFTGAG-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24N4O2/c18-16(22)15-10-14(19-11-20-15)9-12-3-2-7-21(8-6-12)17(23)13-4-1-5-13/h10-13H,1-9H2,(H2,18,22)/t12-/m1/s1.
What are the key properties of 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide?
6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4R)-1-(cyclobutanecarbonyl)azepan-4-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124947519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).