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

C26H29N5O — CID 59663292

IUPACN-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
SMILESN#Cc1cccc(CN2CCc3c(ncnc3NC(=O)C34CC5CC(CC(C5)C3)C4)C2)c1
InChIInChI=1S/C26H29N5O/c27-13-17-2-1-3-18(6-17)14-31-5-4-22-23(15-31)28-16-29-24(22)30-25(32)26-10-19-7-20(11-26)9-21(8-19)12-26/h1-3,6,16,19-21H,4-5,7-12,14-15H2,(H,28,29,30,32)
InChIKeyQVJLFQTVPHYHTK-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.06
Rot. Bonds4

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

N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (PubChem CID 59663292) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
PubChem CID59663292
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC NameN-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
SMILESN#Cc1cccc(CN2CCc3c(ncnc3NC(=O)C34CC5CC(CC(C5)C3)C4)C2)c1
InChIInChI=1S/C26H29N5O/c27-13-17-2-1-3-18(6-17)14-31-5-4-22-23(15-31)28-16-29-24(22)30-25(32)26-10-19-7-20(11-26)9-21(8-19)12-26/h1-3,6,16,19-21H,4-5,7-12,14-15H2,(H,28,29,30,32)
InChIKeyQVJLFQTVPHYHTK-UHFFFAOYSA-N
XLogP4.06
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[7-[(3-ethoxyphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663143
N-[7-[(3,4-dimethylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663281
N-[7-[(3-chloro-4-fluorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663614
N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663634
2-(1-adamantyl)-N-[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-methylpropanamide
CID 59663567
2-(1-adamantyl)-N-[7-[[4-(2-hydroxyethoxy)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663566
N-(7-propanoyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)adamantane-1-carboxamide
CID 59663286
2-(1-adamantyl)-N-[7-(2-phenylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 11847696
2-(3,5-dimethyl-1-adamantyl)-N-[7-(1H-indol-6-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 69269341
N-(3-cyanophenyl)adamantane-1-carboxamide
CID 7788359
N-[7-(2-methylphenyl)sulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
CID 59663572
2-(1-adamantyl)-N-[7-[(4-imidazol-1-ylphenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]acetamide
CID 59663602

Frequently Asked Questions

What is the IUPAC name of N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (CID 59663292) is N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is N#Cc1cccc(CN2CCc3c(ncnc3NC(=O)C34CC5CC(CC(C5)C3)C4)C2)c1.
What is the InChIKey of N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
The InChIKey is QVJLFQTVPHYHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c27-13-17-2-1-3-18(6-17)14-31-5-4-22-23(15-31)28-16-29-24(22)30-25(32)26-10-19-7-20(11-26)9-21(8-19)12-26/h1-3,6,16,19-21H,4-5,7-12,14-15H2,(H,28,29,30,32).
What are the key properties of N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide has a molecular weight of 427.55 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(3-cyanophenyl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 59663292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).