N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide

C12H16N4O2 — CID 172903796

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
SMILESCOc1cc(CNC(=O)CCC2(C)N=N2)ccn1
InChIInChI=1S/C12H16N4O2/c1-12(15-16-12)5-3-10(17)14-8-9-4-6-13-11(7-9)18-2/h4,6-7H,3,5,8H2,1-2H3,(H,14,17)
InChIKeyOPFDQQOUKGNIFC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.67
Rot. Bonds6

About N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide

N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide (PubChem CID 172903796) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
PubChem CID172903796
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
SMILESCOc1cc(CNC(=O)CCC2(C)N=N2)ccn1
InChIInChI=1S/C12H16N4O2/c1-12(15-16-12)5-3-10(17)14-8-9-4-6-13-11(7-9)18-2/h4,6-7H,3,5,8H2,1-2H3,(H,14,17)
InChIKeyOPFDQQOUKGNIFC-UHFFFAOYSA-N
XLogP1.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172882152
5-chloro-N-[(2-methoxy-4-pyridinyl)methyl]pentanamide
CID 62994356
N-[(2-methoxy-4-pyridinyl)methyl]-3-phenylpropanamide
CID 18167302
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
3-(2,4-dimethylphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18155598
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
2-chloro-N-[(2-methoxy-4-pyridinyl)methylcarbamoyl]acetamide
CID 55140170
N-[(2-methoxy-4-pyridinyl)methyl]-2-(propylamino)acetamide
CID 62995403
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide (CID 172903796) is N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide is COc1cc(CNC(=O)CCC2(C)N=N2)ccn1.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
The InChIKey is OPFDQQOUKGNIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(15-16-12)5-3-10(17)14-8-9-4-6-13-11(7-9)18-2/h4,6-7H,3,5,8H2,1-2H3,(H,14,17).
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide has a molecular weight of 248.29 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide is sourced from PubChem (CID 172903796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).