N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide

C21H28N4O2 — CID 59663286

IUPACN-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide
SMILESCCC(=O)N1CCc2c(ncnc2NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C21H28N4O2/c1-2-18(26)25-4-3-16-17(11-25)22-12-23-19(16)24-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h12-15H,2-11H2,1H3,(H,22,23,24,27)
InChIKeyNRAORCPHCSNPPF-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.93
Rot. Bonds3

About N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide

N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide (PubChem CID 59663286) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide
PubChem CID59663286
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide
SMILESCCC(=O)N1CCc2c(ncnc2NC(=O)C23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C21H28N4O2/c1-2-18(26)25-4-3-16-17(11-25)22-12-23-19(16)24-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h12-15H,2-11H2,1H3,(H,22,23,24,27)
InChIKeyNRAORCPHCSNPPF-UHFFFAOYSA-N
XLogP2.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)adamantane-1-carboxamide
CID 659037
2,2-dimethyl-3-[(3R)-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-3-yl]propanamide
CID 164636574
1-[4-(2-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-(4,4-difluoropiperidin-1-yl)ethanone
CID 59160117
1-[4-(2-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-2-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 59160147
1-[2-[4-(1-adamantylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl]pyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 59160344
2-(1-adamantyl)-N-[7-[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663605
N-[7-[1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663610
1-Adamantyl-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]methanone
CID 133434272
1-Adamantyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 45940417
5-{3-[4-(dimethylamino)-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-3-oxopropyl}-4,6-dimethylpyrimidin-2-ol
CID 56870615
6-[1-Adamantanecarbonyl]-2,4-diamino-7-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 585479
2-(1-adamantyl)-N-(7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)acetamide
CID 11847668

Frequently Asked Questions

What is the IUPAC name of N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide?
The IUPAC name of N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide (CID 59663286) is N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide is CCC(=O)N1CCc2c(ncnc2NC(=O)C23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide?
The InChIKey is NRAORCPHCSNPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-2-18(26)25-4-3-16-17(11-25)22-12-23-19(16)24-20(27)21-8-13-5-14(9-21)7-15(6-13)10-21/h12-15H,2-11H2,1H3,(H,22,23,24,27).
What are the key properties of N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide?
N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide is sourced from PubChem (CID 59663286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).