N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide

C9H13N3O — CID 141144618

IUPACN-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide
SMILESCNC(=O)CN1C=CC=NC=C1C
InChIInChI=1S/C9H13N3O/c1-8-6-11-4-3-5-12(8)7-9(13)10-2/h3-6H,7H2,1-2H3,(H,10,13)
InChIKeyHAHGWUDKMVPCQC-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.49
Rot. Bonds2

About N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide

N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide (PubChem CID 141144618) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide
PubChem CID141144618
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide
SMILESCNC(=O)CN1C=CC=NC=C1C
InChIInChI=1S/C9H13N3O/c1-8-6-11-4-3-5-12(8)7-9(13)10-2/h3-6H,7H2,1-2H3,(H,10,13)
InChIKeyHAHGWUDKMVPCQC-UHFFFAOYSA-N
XLogP0.49
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,5]Diazepin-6-one
CID 67060830
2-(1,4-Diazepin-1-yl)acetamide
CID 18001140
2-(2-oxopyrimidin-1-yl)-N-propan-2-ylacetamide
CID 60758847
7-Methyl-8,9a-dihydropyrazino[1,2-a]pyrimidin-9-one
CID 89304798
2-[[(E)-3-[2-(dimethylamino)ethylamino]but-2-enylidene]amino]-N-methylacetamide
CID 90245492
2-(azet-1-ium-1-yl)-N-methylpropanamide
CID 123436885
N-[2-(prop-2-enylideneamino)prop-2-enyl]acetamide
CID 143158240
ethane;N-methyl-2-(methylamino)-N-(3-prop-1-en-2-yliminoprop-1-en-2-yl)acetamide
CID 145198062
N-ethyl-1,2-dihydropyrimidine-2-carboxamide
CID 151565733
3-Methyl-1,3-dihydro-1,4-diazepin-2-one
CID 13553635
N-ethyl-2-(2-oxopyrimidin-1-yl)acetamide
CID 60762760
N-[2-(prop-2-enylideneamino)prop-2-enyl]propanamide
CID 143158254

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide?
The IUPAC name of N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide (CID 141144618) is N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide.
What is the SMILES notation for N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide?
The canonical SMILES for N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide is CNC(=O)CN1C=CC=NC=C1C.
What is the InChIKey of N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide?
The InChIKey is HAHGWUDKMVPCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-8-6-11-4-3-5-12(8)7-9(13)10-2/h3-6H,7H2,1-2H3,(H,10,13).
What are the key properties of N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide?
N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methyl-1,4-diazepin-1-yl)acetamide is sourced from PubChem (CID 141144618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).