3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide

C21H26N4O2 — CID 136554218

IUPAC3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide
SMILESCC1(c2ccccc2)CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1
InChIInChI=1S/C21H26N4O2/c1-21(17-6-3-2-4-7-17)15-25(16-21)20(26)22-14-18-8-5-9-19(23-18)24-10-12-27-13-11-24/h2-9H,10-16H2,1H3,(H,22,26)
InChIKeyDNLFFIACFTZCIH-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.40
Rot. Bonds4

About 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide

3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide (PubChem CID 136554218) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide
PubChem CID136554218
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide
SMILESCC1(c2ccccc2)CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1
InChIInChI=1S/C21H26N4O2/c1-21(17-6-3-2-4-7-17)15-25(16-21)20(26)22-14-18-8-5-9-19(23-18)24-10-12-27-13-11-24/h2-9H,10-16H2,1H3,(H,22,26)
InChIKeyDNLFFIACFTZCIH-UHFFFAOYSA-N
XLogP2.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122055053
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136547172
N-[(6-methyl-2-pyridinyl)methyl]-4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 136527153
7-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-1-benzofuran-2-carboxamide
CID 136532576
N-[(6-morpholin-4-yl-2-pyridinyl)methyl]propan-1-amine
CID 55054747
1,6-dimethyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-4-oxopyridine-3-carboxamide
CID 136550911
4-(dimethylamino)-3-fluoro-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 136532888
8-fluoro-2-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]quinoline-3-carboxamide
CID 136549928
6-morpholin-4-ylpyridine-2-carbohydrazide
CID 67450200
2-(2-methylpropyl)-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 136532891
morpholin-4-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84575028
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]benzamide
CID 167960615

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide?
The IUPAC name of 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide (CID 136554218) is 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide is CC1(c2ccccc2)CN(C(=O)NCc2cccc(N3CCOCC3)n2)C1.
What is the InChIKey of 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide?
The InChIKey is DNLFFIACFTZCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-21(17-6-3-2-4-7-17)15-25(16-21)20(26)22-14-18-8-5-9-19(23-18)24-10-12-27-13-11-24/h2-9H,10-16H2,1H3,(H,22,26).
What are the key properties of 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide?
3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]-3-phenylazetidine-1-carboxamide is sourced from PubChem (CID 136554218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).