N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide

C12H16N4O2 — CID 172882152

IUPACN-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCC2(C)N=N2)cn1
InChIInChI=1S/C12H16N4O2/c1-12(15-16-12)6-5-10(17)13-7-9-3-4-11(18-2)14-8-9/h3-4,8H,5-7H2,1-2H3,(H,13,17)
InChIKeyPEWOHFMYCSUBFA-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.67
Rot. Bonds6

About N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide

N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide (PubChem CID 172882152) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide.

Molecular Properties

Compound NameN-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
PubChem CID172882152
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC NameN-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
SMILESCOc1ccc(CNC(=O)CCC2(C)N=N2)cn1
InChIInChI=1S/C12H16N4O2/c1-12(15-16-12)6-5-10(17)13-7-9-3-4-11(18-2)14-8-9/h3-4,8H,5-7H2,1-2H3,(H,13,17)
InChIKeyPEWOHFMYCSUBFA-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-[(2-methoxy-4-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide
CID 172903796
6-amino-N-[(6-methoxy-3-pyridinyl)methyl]hexanamide
CID 61275158
4-(4-methoxyphenoxy)-N-[(6-methoxy-3-pyridinyl)methyl]butanamide
CID 18139589
N-[3-[(6-methoxy-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
CID 16602215
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
N-[(6-methoxy-3-pyridinyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979608
3-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pentanamide
CID 81087037
(2R)-2-[(6-methoxy-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 62992130
2-(2,4-dichlorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]acetamide
CID 51303949
N-[(6-methoxy-3-pyridinyl)methyl]-3-piperidin-2-ylpropanamide
CID 62209908

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
The IUPAC name of N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide (CID 172882152) is N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide.
What is the SMILES notation for N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
The canonical SMILES for N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide is COc1ccc(CNC(=O)CCC2(C)N=N2)cn1.
What is the InChIKey of N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
The InChIKey is PEWOHFMYCSUBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(15-16-12)6-5-10(17)13-7-9-3-4-11(18-2)14-8-9/h3-4,8H,5-7H2,1-2H3,(H,13,17).
What are the key properties of N-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide?
N-[(6-methoxy-3-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-[(6-methoxy-3-pyridinyl)methyl]-3-(3-methyldiazirin-3-yl)propanamide is sourced from PubChem (CID 172882152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).