N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide

C27H23ClN4O4 — CID 68678505

IUPACN-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ncc2c(n1)CCN(C(=O)c1cc(-c3ccc(Cl)cc3)oc1C)C2
InChIInChI=1S/C27H23ClN4O4/c1-16-21(13-24(36-16)17-7-9-19(28)10-8-17)26(34)32-12-11-22-18(15-32)14-29-27(30-22)31-25(33)20-5-3-4-6-23(20)35-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,30,31,33)
InChIKeyMKBOBIBNAKZFKP-UHFFFAOYSA-N
MW502.96 g/mol
LogP5.16
Rot. Bonds5

About N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide

N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide (PubChem CID 68678505) has the molecular formula C27H23ClN4O4 and a molecular weight of 502.96 g/mol. Its IUPAC name is N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
PubChem CID68678505
Molecular FormulaC27H23ClN4O4
Molecular Weight502.96 g/mol
Exact Mass502.14
IUPAC NameN-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ncc2c(n1)CCN(C(=O)c1cc(-c3ccc(Cl)cc3)oc1C)C2
InChIInChI=1S/C27H23ClN4O4/c1-16-21(13-24(36-16)17-7-9-19(28)10-8-17)26(34)32-12-11-22-18(15-32)14-29-27(30-22)31-25(33)20-5-3-4-6-23(20)35-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,30,31,33)
InChIKeyMKBOBIBNAKZFKP-UHFFFAOYSA-N
XLogP5.16
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.96
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide 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

4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 68678555
N-[6-(5-chlorothiophen-2-yl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
CID 11597887
ethyl 3-[2-[(3-chlorobenzoyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropanoate
CID 11718335
4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 11583646
N-[4-[5-(2-chlorobenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3,5-dimethoxybenzamide
CID 5055434
N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide
CID 68679140
pyridin-2-yl-[2-(3,4,5-trimethoxyanilino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 118970903
N-[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 21105221
2-fluoro-N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
CID 42784409
3,5-dichloro-N-[6-[4-(trifluoromethoxy)benzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 68678305
ethyl 2-[[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 16651463
N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-2-methoxybenzamide
CID 110402522

Frequently Asked Questions

What is the IUPAC name of N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide (CID 68678505) is N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ncc2c(n1)CCN(C(=O)c1cc(-c3ccc(Cl)cc3)oc1C)C2.
What is the InChIKey of N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
The InChIKey is MKBOBIBNAKZFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O4/c1-16-21(13-24(36-16)17-7-9-19(28)10-8-17)26(34)32-12-11-22-18(15-32)14-29-27(30-22)31-25(33)20-5-3-4-6-23(20)35-2/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,30,31,33).
What are the key properties of N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide?
N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide has a molecular weight of 502.96 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 68678505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).