N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide

C19H28N4O — CID 129339680

IUPACN-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)[C@H]1CCCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C19H28N4O/c1-14(24)23(16-4-2-5-16)17-6-3-12-22(13-10-17)18-9-11-20-19(21-18)15-7-8-15/h9,11,15-17H,2-8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyOYOWAEGPXMLMHA-KRWDZBQOSA-N
MW328.46 g/mol
LogP3.11
Rot. Bonds4

About N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide

N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide (PubChem CID 129339680) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
PubChem CID129339680
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC NameN-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide
SMILESCC(=O)N(C1CCC1)[C@H]1CCCN(c2ccnc(C3CC3)n2)CC1
InChIInChI=1S/C19H28N4O/c1-14(24)23(16-4-2-5-16)17-6-3-12-22(13-10-17)18-9-11-20-19(21-18)15-7-8-15/h9,11,15-17H,2-8,10,12-13H2,1H3/t17-/m0/s1
InChIKeyOYOWAEGPXMLMHA-KRWDZBQOSA-N
XLogP3.11
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclobutyl-N-[1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]methanesulfonamide
CID 128996001
4-(azetidin-1-yl)-2-cyclopropylpyrimidine
CID 131087729
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133300182
(4R)-N-[(4-aminopyrimidin-2-yl)methyl]-1-(2-cyclopropylpyrimidin-4-yl)-N-methylazepan-4-amine
CID 129344106
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylcyclopropanesulfonamide
CID 163346286
N-cyclohexyl-4-(2-cyclopropylpyrimidin-4-yl)-N-methylpiperazine-1-sulfonamide
CID 127302660
N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357564
5-bromo-N-[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328258
2-cyclopropyl-4-(4-ethoxypiperidin-1-yl)pyrimidine
CID 133298308
tert-butyl N-[[1-(2-cyclopropylpyrimidin-4-yl)piperidin-4-yl]methyl]carbamate
CID 133300314
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967
1-(2-cyclopropylpyrimidin-4-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129000168

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide?
The IUPAC name of N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide (CID 129339680) is N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide?
The canonical SMILES for N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide is CC(=O)N(C1CCC1)[C@H]1CCCN(c2ccnc(C3CC3)n2)CC1.
What is the InChIKey of N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide?
The InChIKey is OYOWAEGPXMLMHA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O/c1-14(24)23(16-4-2-5-16)17-6-3-12-22(13-10-17)18-9-11-20-19(21-18)15-7-8-15/h9,11,15-17H,2-8,10,12-13H2,1H3/t17-/m0/s1.
What are the key properties of N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide?
N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide has a molecular weight of 328.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[(4S)-1-(2-cyclopropylpyrimidin-4-yl)azepan-4-yl]acetamide is sourced from PubChem (CID 129339680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).