4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile

C19H19N5O2 — CID 56879370

IUPAC4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cc1
InChIInChI=1S/C19H19N5O2/c20-11-14-1-3-15(4-2-14)19(25)24-6-5-16-17(12-24)21-13-22-18(16)23-7-9-26-10-8-23/h1-4,13H,5-10,12H2
InChIKeyBGRKNFKCHLFTMX-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.38
Rot. Bonds2

About 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile

4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile (PubChem CID 56879370) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile
PubChem CID56879370
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile
SMILESN#Cc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cc1
InChIInChI=1S/C19H19N5O2/c20-11-14-1-3-15(4-2-14)19(25)24-6-5-16-17(12-24)21-13-22-18(16)23-7-9-26-10-8-23/h1-4,13H,5-10,12H2
InChIKeyBGRKNFKCHLFTMX-UHFFFAOYSA-N
XLogP1.38
TPSA82.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile with MolForge

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Related Compounds

(4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-phenylmethanone
CID 131688529
(5-chloro-3-pyridinyl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 56877933
(4-methylthiadiazol-5-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 56863918
tert-butyl 4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 142599627
(4-morpholin-4-yl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl)-(1H-pyrrol-3-yl)methanone
CID 131685908
(2-methylsulfanyl-1,3-thiazol-4-yl)-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methanone
CID 70721103
2-(2,5-dimethylphenyl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 70743092
2-ethoxy-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 56879436
1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-3-pyridin-4-ylpropan-1-one
CID 70723953
(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-[(2R)-spiro[2.3]hexan-2-yl]methanone
CID 95562719
2-(3-methyl-1,2-oxazol-5-yl)-1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)ethanone
CID 70758392
1-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-5-phenylpentan-1-one
CID 56874539

Frequently Asked Questions

What is the IUPAC name of 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile?
The IUPAC name of 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile (CID 56879370) is 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile.
What is the SMILES notation for 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile?
The canonical SMILES for 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile is N#Cc1ccc(C(=O)N2CCc3c(ncnc3N3CCOCC3)C2)cc1.
What is the InChIKey of 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile?
The InChIKey is BGRKNFKCHLFTMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c20-11-14-1-3-15(4-2-14)19(25)24-6-5-16-17(12-24)21-13-22-18(16)23-7-9-26-10-8-23/h1-4,13H,5-10,12H2.
What are the key properties of 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile?
4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile has a molecular weight of 349.39 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-morpholin-4-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)benzonitrile is sourced from PubChem (CID 56879370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).