4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide

C24H34N4O3 — CID 21099776

IUPAC4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H34N4O3/c1-23(2,18-3-4-19(26-14-18)28-5-7-31-8-6-28)22(30)27-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h3-4,14-17,20H,5-13H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUBUBJGOGXPNWEC-UHFFFAOYSA-N
MW426.56 g/mol
LogP1.99
Rot. Bonds5

About 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide

4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide (PubChem CID 21099776) has the molecular formula C24H34N4O3 and a molecular weight of 426.56 g/mol. Its IUPAC name is 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide
PubChem CID21099776
Molecular FormulaC24H34N4O3
Molecular Weight426.56 g/mol
Exact Mass426.26
IUPAC Name4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide
SMILESCC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)c1ccc(N2CCOCC2)nc1
InChIInChI=1S/C24H34N4O3/c1-23(2,18-3-4-19(26-14-18)28-5-7-31-8-6-28)22(30)27-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h3-4,14-17,20H,5-13H2,1-2H3,(H2,25,29)(H,27,30)
InChIKeyUBUBJGOGXPNWEC-UHFFFAOYSA-N
XLogP1.99
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide (CID 21099776) is 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide is CC(C)(C(=O)NC1C2CC3CC1CC(C(N)=O)(C3)C2)c1ccc(N2CCOCC2)nc1.
What is the InChIKey of 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide?
The InChIKey is UBUBJGOGXPNWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O3/c1-23(2,18-3-4-19(26-14-18)28-5-7-31-8-6-28)22(30)27-20-16-9-15-10-17(20)13-24(11-15,12-16)21(25)29/h3-4,14-17,20H,5-13H2,1-2H3,(H2,25,29)(H,27,30).
What are the key properties of 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide?
4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide has a molecular weight of 426.56 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-(6-morpholin-4-yl-3-pyridinyl)propanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 21099776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).