N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide

C30H36N4O2 — CID 11533170

IUPACN-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H36N4O2/c35-27(29-11-17-5-18(12-29)7-19(6-17)13-29)33-24-3-1-23-2-4-25(32-26(23)31-24)34-28(36)30-14-20-8-21(15-30)10-22(9-20)16-30/h1-4,17-22H,5-16H2,(H2,31,32,33,34,35,36)
InChIKeyWVIZOSDLZSMPHN-UHFFFAOYSA-N
MW484.64 g/mol
LogP5.94
Rot. Bonds4

About N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide

N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide (PubChem CID 11533170) has the molecular formula C30H36N4O2 and a molecular weight of 484.64 g/mol. Its IUPAC name is N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide
PubChem CID11533170
Molecular FormulaC30H36N4O2
Molecular Weight484.64 g/mol
Exact Mass484.28
IUPAC NameN-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide
SMILESO=C(Nc1ccc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2n1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C30H36N4O2/c35-27(29-11-17-5-18(12-29)7-19(6-17)13-29)33-24-3-1-23-2-4-25(32-26(23)31-24)34-28(36)30-14-20-8-21(15-30)10-22(9-20)16-30/h1-4,17-22H,5-16H2,(H2,31,32,33,34,35,36)
InChIKeyWVIZOSDLZSMPHN-UHFFFAOYSA-N
XLogP5.94
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.64
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide?
The IUPAC name of N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide (CID 11533170) is N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide.
What is the SMILES notation for N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide?
The canonical SMILES for N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide is O=C(Nc1ccc2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2n1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide?
The InChIKey is WVIZOSDLZSMPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4O2/c35-27(29-11-17-5-18(12-29)7-19(6-17)13-29)33-24-3-1-23-2-4-25(32-26(23)31-24)34-28(36)30-14-20-8-21(15-30)10-22(9-20)16-30/h1-4,17-22H,5-16H2,(H2,31,32,33,34,35,36).
What are the key properties of N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide?
N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide has a molecular weight of 484.64 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide is sourced from PubChem (CID 11533170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).