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

C21H30N4O2 — CID 21099775

IUPAC4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide
SMILESCNc1ccc(C(C)(C)C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)cn1
InChIInChI=1S/C21H30N4O2/c1-20(2,15-4-5-16(23-3)24-11-15)19(27)25-17-13-6-12-7-14(17)10-21(8-12,9-13)18(22)26/h4-5,11-14,17H,6-10H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27)
InChIKeyTUJYKUDQFPOWHV-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.20
Rot. Bonds5

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

4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide (PubChem CID 21099775) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide
PubChem CID21099775
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide
SMILESCNc1ccc(C(C)(C)C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)cn1
InChIInChI=1S/C21H30N4O2/c1-20(2,15-4-5-16(23-3)24-11-15)19(27)25-17-13-6-12-7-14(17)10-21(8-12,9-13)18(22)26/h4-5,11-14,17H,6-10H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27)
InChIKeyTUJYKUDQFPOWHV-UHFFFAOYSA-N
XLogP2.20
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide (CID 21099775) is 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide is CNc1ccc(C(C)(C)C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)cn1.
What is the InChIKey of 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide?
The InChIKey is TUJYKUDQFPOWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-20(2,15-4-5-16(23-3)24-11-15)19(27)25-17-13-6-12-7-14(17)10-21(8-12,9-13)18(22)26/h4-5,11-14,17H,6-10H2,1-3H3,(H2,22,26)(H,23,24)(H,25,27).
What are the key properties of 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide?
4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-methyl-2-[6-(methylamino)-3-pyridinyl]propanoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 21099775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).