2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

C14H22N4O — CID 116676486

IUPAC2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(C(=O)N(Cc1nccn1C)C1CC1)C1CNC1
InChIInChI=1S/C14H22N4O/c1-10(11-7-15-8-11)14(19)18(12-3-4-12)9-13-16-5-6-17(13)2/h5-6,10-12,15H,3-4,7-9H2,1-2H3
InChIKeyKBWZZZDFTHLLQV-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.77
Rot. Bonds5

About 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide

2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 116676486) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID116676486
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
SMILESCC(C(=O)N(Cc1nccn1C)C1CC1)C1CNC1
InChIInChI=1S/C14H22N4O/c1-10(11-7-15-8-11)14(19)18(12-3-4-12)9-13-16-5-6-17(13)2/h5-6,10-12,15H,3-4,7-9H2,1-2H3
InChIKeyKBWZZZDFTHLLQV-UHFFFAOYSA-N
XLogP0.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-cyclohexyl-N-cyclopropyl-2-hydroxy-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 90652770
2-amino-N-cyclopropyl-4-methyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 54871592
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 76895168
2-amino-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290167
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 116679986
N-cyclopropyl-5-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 3710721
3,5-dibromo-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 103907950
N-cyclopropyl-3,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-1H-pyrazole-4-carboxamide
CID 60959154
2-amino-N-cyclopropyl-2-ethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 79813594
N-cyclopropyl-2-(2,5-dichlorophenyl)sulfanyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 47059362
(2S)-N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 94600634
3-amino-N-cyclopropyl-3-methyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 64677936

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide (CID 116676486) is 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is CC(C(=O)N(Cc1nccn1C)C1CC1)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is KBWZZZDFTHLLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(11-7-15-8-11)14(19)18(12-3-4-12)9-13-16-5-6-17(13)2/h5-6,10-12,15H,3-4,7-9H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide?
2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 262.36 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 116676486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).