N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

C19H27N3O4 — CID 91950232

IUPACN-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCn1cnc2oc(C)c(C(=O)NC3CCCCCC3)c2c1=O
InChIInChI=1S/C19H27N3O4/c1-13-15(17(23)21-14-8-5-3-4-6-9-14)16-18(26-13)20-12-22(19(16)24)10-7-11-25-2/h12,14H,3-11H2,1-2H3,(H,21,23)
InChIKeyFYXOBAAEOSQQRG-UHFFFAOYSA-N
MW361.44 g/mol
LogP2.79
Rot. Bonds6

About N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide

N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (PubChem CID 91950232) has the molecular formula C19H27N3O4 and a molecular weight of 361.44 g/mol. Its IUPAC name is N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
PubChem CID91950232
Molecular FormulaC19H27N3O4
Molecular Weight361.44 g/mol
Exact Mass361.20
IUPAC NameN-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
SMILESCOCCCn1cnc2oc(C)c(C(=O)NC3CCCCCC3)c2c1=O
InChIInChI=1S/C19H27N3O4/c1-13-15(17(23)21-14-8-5-3-4-6-9-14)16-18(26-13)20-12-22(19(16)24)10-7-11-25-2/h12,14H,3-11H2,1-2H3,(H,21,23)
InChIKeyFYXOBAAEOSQQRG-UHFFFAOYSA-N
XLogP2.79
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-hydroxycyclohexyl)-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 100815085
3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxylic acid
CID 39103403
3-(3-methoxypropyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950324
3-(3-methoxypropyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950301
3-(2-methoxyethyl)-6-methyl-5-(piperidine-1-carbonyl)furo[2,3-d]pyrimidin-4-one
CID 91950060
3-(3-methoxypropyl)-6-methyl-4-oxo-N-[2-(1-phenylethyl)pyrazol-3-yl]furo[2,3-d]pyrimidine-5-carboxamide
CID 91950234
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91950270
5-(4-benzylpiperazine-1-carbonyl)-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950231
N-(3-indol-1-ylpropyl)-3-(2-methoxyethyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949989
3-(2-methoxyethyl)-6-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 91949965
N-(2-methoxyethyl)-6-methyl-4-oxo-3-prop-2-enylfuro[2,3-d]pyrimidine-5-carboxamide
CID 91950154
5-[4-[(4-fluorophenyl)methyl]piperazine-1-carbonyl]-3-(3-methoxypropyl)-6-methylfuro[2,3-d]pyrimidin-4-one
CID 91950213

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The IUPAC name of N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide (CID 91950232) is N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The canonical SMILES for N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is COCCCn1cnc2oc(C)c(C(=O)NC3CCCCCC3)c2c1=O.
What is the InChIKey of N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
The InChIKey is FYXOBAAEOSQQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O4/c1-13-15(17(23)21-14-8-5-3-4-6-9-14)16-18(26-13)20-12-22(19(16)24)10-7-11-25-2/h12,14H,3-11H2,1-2H3,(H,21,23).
What are the key properties of N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide?
N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide has a molecular weight of 361.44 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3-methoxypropyl)-6-methyl-4-oxofuro[2,3-d]pyrimidine-5-carboxamide is sourced from PubChem (CID 91950232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).