N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

C15H15BrN4O — CID 53147271

IUPACN-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(n1)CCN(C(=O)Nc1cccc(Br)c1)C2
InChIInChI=1S/C15H15BrN4O/c1-10-17-8-11-9-20(6-5-14(11)18-10)15(21)19-13-4-2-3-12(16)7-13/h2-4,7-8H,5-6,9H2,1H3,(H,19,21)
InChIKeyZGWLQPDGDSVYHD-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.14
Rot. Bonds1

About N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide

N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (PubChem CID 53147271) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
PubChem CID53147271
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC NameN-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(n1)CCN(C(=O)Nc1cccc(Br)c1)C2
InChIInChI=1S/C15H15BrN4O/c1-10-17-8-11-9-20(6-5-14(11)18-10)15(21)19-13-4-2-3-12(16)7-13/h2-4,7-8H,5-6,9H2,1H3,(H,19,21)
InChIKeyZGWLQPDGDSVYHD-UHFFFAOYSA-N
XLogP3.14
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147195
N-(4-methoxyphenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53014130
N-(3-bromophenyl)-4-(2,6-dimethylmorpholin-4-yl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786432
N-[(2R)-1-(furan-2-yl)propan-2-yl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 94031247
N-(3-bromophenyl)-2,4-dimethylpyrimidine-5-carboxamide
CID 92648375
3-chloro-N-(3-methoxyphenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 24732789
N-(3-bromophenyl)-2-oxa-6-azaspiro[3.3]heptane-6-carboxamide
CID 172876253
6,7-dimethoxy-N-(3-methylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 27869928
4-(2,6-dimethylmorpholin-4-yl)-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 42786422
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-N-(3-methylphenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 7499166
(3-bromophenyl)-[2-(4-chlorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 53147009
N-(3-chloro-4-fluorophenyl)-2-(4-fluorophenyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide
CID 53147188

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide (CID 53147271) is N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is Cc1ncc2c(n1)CCN(C(=O)Nc1cccc(Br)c1)C2.
What is the InChIKey of N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
The InChIKey is ZGWLQPDGDSVYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-10-17-8-11-9-20(6-5-14(11)18-10)15(21)19-13-4-2-3-12(16)7-13/h2-4,7-8H,5-6,9H2,1H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide?
N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide has a molecular weight of 347.22 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 53147271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).