7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide

C19H22N4O2 — CID 173153318

IUPAC7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCc3cnc(C(N)=O)nc3C2)cc1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)14-6-4-12(5-7-14)18(25)23-9-8-13-10-21-17(16(20)24)22-15(13)11-23/h4-7,10H,8-9,11H2,1-3H3,(H2,20,24)
InChIKeyFLVKWLAIYKIFTL-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.07
Rot. Bonds2

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

7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (PubChem CID 173153318) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
PubChem CID173153318
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
SMILESCC(C)(C)c1ccc(C(=O)N2CCc3cnc(C(N)=O)nc3C2)cc1
InChIInChI=1S/C19H22N4O2/c1-19(2,3)14-6-4-12(5-7-14)18(25)23-9-8-13-10-21-17(16(20)24)22-15(13)11-23/h4-7,10H,8-9,11H2,1-3H3,(H2,20,24)
InChIKeyFLVKWLAIYKIFTL-UHFFFAOYSA-N
XLogP2.07
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3-fluorobenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153608
7-(3-methoxybenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153405
7-[2-(trifluoromethyl)benzoyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153406
7-(2-phenoxyacetyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153233
7-ethylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153415
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-tert-butylphenyl)methanone
CID 28707230
tert-butyl 2-carbamoyl-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 67065842
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
CID 83920680
[4-(4-tert-butylbenzoyl)piperazin-1-yl]-(4-tert-butylphenyl)methanone
CID 1241593
(2-amino-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[4-[butyl(methyl)amino]phenyl]methanone
CID 126838819
7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153410
2-(4-tert-butylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110294078

Frequently Asked Questions

What is the IUPAC name of 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The IUPAC name of 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide (CID 173153318) is 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The canonical SMILES for 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is CC(C)(C)c1ccc(C(=O)N2CCc3cnc(C(N)=O)nc3C2)cc1.
What is the InChIKey of 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
The InChIKey is FLVKWLAIYKIFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-19(2,3)14-6-4-12(5-7-14)18(25)23-9-8-13-10-21-17(16(20)24)22-15(13)11-23/h4-7,10H,8-9,11H2,1-3H3,(H2,20,24).
What are the key properties of 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide?
7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-tert-butylbenzoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide is sourced from PubChem (CID 173153318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).