2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide

C12H20N4O — CID 62472420

IUPAC2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
SMILESCCNc1cc(CN(C)CC(=O)NC)ccn1
InChIInChI=1S/C12H20N4O/c1-4-14-11-7-10(5-6-15-11)8-16(3)9-12(17)13-2/h5-7H,4,8-9H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyVWIAVISMYHUDGU-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.69
Rot. Bonds6

About 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide

2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide (PubChem CID 62472420) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
PubChem CID62472420
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
SMILESCCNc1cc(CN(C)CC(=O)NC)ccn1
InChIInChI=1S/C12H20N4O/c1-4-14-11-7-10(5-6-15-11)8-16(3)9-12(17)13-2/h5-7H,4,8-9H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyVWIAVISMYHUDGU-UHFFFAOYSA-N
XLogP0.69
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide
CID 55075419
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711
2-[(2-amino-2-oxoethyl)-[[2-(ethylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62923572
4-[[benzyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 55075738
4-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethylpyridin-2-amine
CID 81074834
N-ethyl-4-[[methyl(pyridin-3-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075650
N-ethyl-4-[[furan-2-ylmethyl(methyl)amino]methyl]pyridin-2-amine
CID 62471347
1-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 62464336
N,2-dimethyl-3-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]propanamide
CID 106917955
N-ethyl-4-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridin-2-amine
CID 55075130
4-[[ethyl(methyl)amino]methyl]-N-propylpyridin-2-amine
CID 62472407
2-[[2-(ethylamino)-4-pyridinyl]methylsulfanyl]-N,N-dimethylacetamide
CID 114234591

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide (CID 62472420) is 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide is CCNc1cc(CN(C)CC(=O)NC)ccn1.
What is the InChIKey of 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide?
The InChIKey is VWIAVISMYHUDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-14-11-7-10(5-6-15-11)8-16(3)9-12(17)13-2/h5-7H,4,8-9H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide?
2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 62472420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).