N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide

C27H33N3O3 — CID 55713590

IUPACN-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)cn2)c1
InChIInChI=1S/C27H33N3O3/c1-17-3-4-18(2)23(7-17)33-25-6-5-19(15-29-25)14-28-24(31)16-30-26(32)27-11-20-8-21(12-27)10-22(9-20)13-27/h3-7,15,20-22H,8-14,16H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyOYOXHEIIZFRMJH-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.44
Rot. Bonds7

About N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide

N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide (PubChem CID 55713590) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide
PubChem CID55713590
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC NameN-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide
SMILESCc1ccc(C)c(Oc2ccc(CNC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)cn2)c1
InChIInChI=1S/C27H33N3O3/c1-17-3-4-18(2)23(7-17)33-25-6-5-19(15-29-25)14-28-24(31)16-30-26(32)27-11-20-8-21(12-27)10-22(9-20)13-27/h3-7,15,20-22H,8-14,16H2,1-2H3,(H,28,31)(H,30,32)
InChIKeyOYOXHEIIZFRMJH-UHFFFAOYSA-N
XLogP4.44
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 95233356
4-bromo-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 55713360
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 51123369
(3S)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 51950007
2-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-methylpropanamide
CID 60530398
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 55725443
N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]adamantane-1-carboxamide
CID 55724914
4-(2-amino-2-oxoethoxy)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3,5-dimethoxybenzamide
CID 55713703
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-4,6,7-trimethoxy-1H-indole-2-carboxamide
CID 55725072
(3R)-1-(cyclopropylmethyl)-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 51950000
4-cyano-N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 71922134
N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 154843635

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide (CID 55713590) is N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide is Cc1ccc(C)c(Oc2ccc(CNC(=O)CNC(=O)C34CC5CC(CC(C5)C3)C4)cn2)c1.
What is the InChIKey of N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide?
The InChIKey is OYOXHEIIZFRMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-17-3-4-18(2)23(7-17)33-25-6-5-19(15-29-25)14-28-24(31)16-30-26(32)27-11-20-8-21(12-27)10-22(9-20)13-27/h3-7,15,20-22H,8-14,16H2,1-2H3,(H,28,31)(H,30,32).
What are the key properties of N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide?
N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methylamino]-2-oxoethyl]adamantane-1-carboxamide is sourced from PubChem (CID 55713590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).