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

C25H36N4O — CID 59663634

IUPACN-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ncnc2c1CCN(CC1CCCCC1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N4O/c30-24(25-11-18-8-19(12-25)10-20(9-18)13-25)28-23-21-6-7-29(15-22(21)26-16-27-23)14-17-4-2-1-3-5-17/h16-20H,1-15H2,(H,26,27,28,30)
InChIKeyOCTBXNPNVFXNHE-UHFFFAOYSA-N
MW408.59 g/mol
LogP4.57
Rot. Bonds4

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

N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (PubChem CID 59663634) has the molecular formula C25H36N4O and a molecular weight of 408.59 g/mol. Its IUPAC name is N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
PubChem CID59663634
Molecular FormulaC25H36N4O
Molecular Weight408.59 g/mol
Exact Mass408.29
IUPAC NameN-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ncnc2c1CCN(CC1CCCCC1)C2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C25H36N4O/c30-24(25-11-18-8-19(12-25)10-20(9-18)13-25)28-23-21-6-7-29(15-22(21)26-16-27-23)14-17-4-2-1-3-5-17/h16-20H,1-15H2,(H,26,27,28,30)
InChIKeyOCTBXNPNVFXNHE-UHFFFAOYSA-N
XLogP4.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.59
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
The IUPAC name of N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide (CID 59663634) is N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is O=C(Nc1ncnc2c1CCN(CC1CCCCC1)C2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
The InChIKey is OCTBXNPNVFXNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O/c30-24(25-11-18-8-19(12-25)10-20(9-18)13-25)28-23-21-6-7-29(15-22(21)26-16-27-23)14-17-4-2-1-3-5-17/h16-20H,1-15H2,(H,26,27,28,30).
What are the key properties of N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide?
N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide has a molecular weight of 408.59 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(cyclohexylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]adamantane-1-carboxamide is sourced from PubChem (CID 59663634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).