N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide

C18H26N4O2 — CID 91909035

IUPACN-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide
SMILESCc1ncc2c(n1)CCCN(CC(=O)NC1CCCCCC1)C2=O
InChIInChI=1S/C18H26N4O2/c1-13-19-11-15-16(20-13)9-6-10-22(18(15)24)12-17(23)21-14-7-4-2-3-5-8-14/h11,14H,2-10,12H2,1H3,(H,21,23)
InChIKeyHRCCEKKVZJSVKL-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.01
Rot. Bonds3

About N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide

N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide (PubChem CID 91909035) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide
PubChem CID91909035
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide
SMILESCc1ncc2c(n1)CCCN(CC(=O)NC1CCCCCC1)C2=O
InChIInChI=1S/C18H26N4O2/c1-13-19-11-15-16(20-13)9-6-10-22(18(15)24)12-17(23)21-14-7-4-2-3-5-8-14/h11,14H,2-10,12H2,1H3,(H,21,23)
InChIKeyHRCCEKKVZJSVKL-UHFFFAOYSA-N
XLogP2.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
ethyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]piperidine-1-carboxylate
CID 110689912
2-(4-chloro-2-methyl-6-oxopyrimidin-1-yl)-N-cycloheptylacetamide
CID 114581619
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
N-cyclohexyl-2-(3-methyl-2-oxo-1,4-diazepan-1-yl)acetamide
CID 63258592
3-[2-(cyclopentylamino)-2-oxoethyl]-2-methylimidazole-4-carboxylic acid
CID 65172485
N-cyclohexyl-2-(3-methyl-2-oxopiperazin-1-yl)acetamide
CID 63608173
N-cyclopropyl-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 17383788
N-cyclooctyl-2,4-dimethylpyrimidine-5-carboxamide
CID 66877554
N-cyclohexyl-2-[(2S,6S)-2,6-dimethyl-3,5-dioxothiomorpholin-4-yl]acetamide
CID 2148226
N-cyclohexyl-2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)acetamide
CID 5059021

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide?
The IUPAC name of N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide (CID 91909035) is N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide is Cc1ncc2c(n1)CCCN(CC(=O)NC1CCCCCC1)C2=O.
What is the InChIKey of N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide?
The InChIKey is HRCCEKKVZJSVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-19-11-15-16(20-13)9-6-10-22(18(15)24)12-17(23)21-14-7-4-2-3-5-8-14/h11,14H,2-10,12H2,1H3,(H,21,23).
What are the key properties of N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide?
N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide has a molecular weight of 330.43 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2-methyl-5-oxo-8,9-dihydro-7H-pyrimido[5,4-c]azepin-6-yl)acetamide is sourced from PubChem (CID 91909035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).