(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide

C12H16N4O2 — CID 102416597

IUPAC(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide
SMILESCNC(=O)[C@H]1[C@H](C(=O)NC)N1Cc1ccccn1
InChIInChI=1S/C12H16N4O2/c1-13-11(17)9-10(12(18)14-2)16(9)7-8-5-3-4-6-15-8/h3-6,9-10H,7H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyABLDXPGMTIMSFO-NXEZZACHSA-N
MW248.29 g/mol
LogP-0.87
Rot. Bonds4

About (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide

(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide (PubChem CID 102416597) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide.

Molecular Properties

Compound Name(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide
PubChem CID102416597
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide
SMILESCNC(=O)[C@H]1[C@H](C(=O)NC)N1Cc1ccccn1
InChIInChI=1S/C12H16N4O2/c1-13-11(17)9-10(12(18)14-2)16(9)7-8-5-3-4-6-15-8/h3-6,9-10H,7H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1
InChIKeyABLDXPGMTIMSFO-NXEZZACHSA-N
XLogP-0.87
TPSA74.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
2-[8-(pyridin-2-ylmethyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79015062
N-methyl-6-oxo-1-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 70972246
8-(cyclopropylmethyl)-N-methyl-2-(pyridin-2-ylmethyl)-5-oxa-2,8-diazaspiro[3.5]nonane-7-carboxamide
CID 131678398
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-methyl-2-(pyridin-2-ylmethoxy)acetamide
CID 66785748
[1-(pyridin-2-ylmethyl)piperidin-4-yl]urea;dihydrochloride
CID 174440638
N-methyl-1-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 86860831
N-methyl-2-pyridin-2-ylethanamine dichloride
CID 45114105
(3aR,5R,7aR)-N-methyl-1-(pyridin-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 171693351
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide?
The IUPAC name of (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide (CID 102416597) is (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide.
What is the SMILES notation for (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide?
The canonical SMILES for (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide is CNC(=O)[C@H]1[C@H](C(=O)NC)N1Cc1ccccn1.
What is the InChIKey of (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide?
The InChIKey is ABLDXPGMTIMSFO-NXEZZACHSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-13-11(17)9-10(12(18)14-2)16(9)7-8-5-3-4-6-15-8/h3-6,9-10H,7H2,1-2H3,(H,13,17)(H,14,18)/t9-,10-/m1/s1.
What are the key properties of (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide?
(2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide has a molecular weight of 248.29 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-N,3-N-dimethyl-1-(pyridin-2-ylmethyl)aziridine-2,3-dicarboxamide is sourced from PubChem (CID 102416597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).