4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

C21H15ClF2N4O2 — CID 68678555

IUPAC4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=C(Nc1ncc2c(n1)CCN(C(=O)c1ccc(F)cc1F)C2)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF2N4O2/c22-14-3-1-12(2-4-14)19(29)27-21-25-10-13-11-28(8-7-18(13)26-21)20(30)16-6-5-15(23)9-17(16)24/h1-6,9-10H,7-8,11H2,(H,25,26,27,29)
InChIKeyYAIUTYVOVJTQRI-UHFFFAOYSA-N
MW428.83 g/mol
LogP3.86
Rot. Bonds3

About 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide

4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (PubChem CID 68678555) has the molecular formula C21H15ClF2N4O2 and a molecular weight of 428.83 g/mol. Its IUPAC name is 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
PubChem CID68678555
Molecular FormulaC21H15ClF2N4O2
Molecular Weight428.83 g/mol
Exact Mass428.09
IUPAC Name4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
SMILESO=C(Nc1ncc2c(n1)CCN(C(=O)c1ccc(F)cc1F)C2)c1ccc(Cl)cc1
InChIInChI=1S/C21H15ClF2N4O2/c22-14-3-1-12(2-4-14)19(29)27-21-25-10-13-11-28(8-7-18(13)26-21)20(30)16-6-5-15(23)9-17(16)24/h1-6,9-10H,7-8,11H2,(H,25,26,27,29)
InChIKeyYAIUTYVOVJTQRI-UHFFFAOYSA-N
XLogP3.86
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[6-(1-formylnaphthalene-2-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 11583646
3,5-dichloro-N-[6-[4-(trifluoromethoxy)benzoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 68678305
N-[6-(2H-chromene-3-carbonyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-3,4-difluorobenzamide
CID 68679140
ethyl 3-[2-[(3-chlorobenzoyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-3-oxopropanoate
CID 11718335
(2-chloro-5-fluorophenyl)-(2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 53147104
N-[6-[5-(4-chlorophenyl)-2-methylfuran-3-carbonyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]-2-methoxybenzamide
CID 68678505
4-ethyl-N-[6-(2-ethylbutanoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide
CID 68680224
3,4-difluoro-N-(6-thiophen-2-ylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)benzamide
CID 11575727
(2,4-difluorophenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110476783
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147188
benzyl N-[2-[2-[(3,4-difluorobenzoyl)amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-oxo-1-phenylethyl]carbamate
CID 68678111
(2,4-difluorophenyl)-[4-(dimethylamino)-2-(4-methylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 46050656

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide (CID 68678555) is 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is O=C(Nc1ncc2c(n1)CCN(C(=O)c1ccc(F)cc1F)C2)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is YAIUTYVOVJTQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15ClF2N4O2/c22-14-3-1-12(2-4-14)19(29)27-21-25-10-13-11-28(8-7-18(13)26-21)20(30)16-6-5-15(23)9-17(16)24/h1-6,9-10H,7-8,11H2,(H,25,26,27,29).
What are the key properties of 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide?
4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 428.83 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(2,4-difluorobenzoyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 68678555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).