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

C12H20N4O — CID 63887456

IUPAC2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)Cc1ccnc(CN)c1
InChIInChI=1S/C12H20N4O/c1-3-16(9-12(17)14-2)8-10-4-5-15-11(6-10)7-13/h4-6H,3,7-9,13H2,1-2H3,(H,14,17)
InChIKeyGKEVVZPWOSCJFW-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.11
Rot. Bonds6

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

2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide (PubChem CID 63887456) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
PubChem CID63887456
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
SMILESCCN(CC(=O)NC)Cc1ccnc(CN)c1
InChIInChI=1S/C12H20N4O/c1-3-16(9-12(17)14-2)8-10-4-5-15-11(6-10)7-13/h4-6H,3,7-9,13H2,1-2H3,(H,14,17)
InChIKeyGKEVVZPWOSCJFW-UHFFFAOYSA-N
XLogP0.11
TPSA71.25 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 ≤ 50.11
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
2-[ethyl-[(4-hydrazinyl-2-pyridinyl)methyl]amino]-N-methylacetamide
CID 79259822
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-ethylpropan-1-amine
CID 63887251
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
2-[(3-amino-4-bromophenyl)methyl-ethylamino]-N-methylacetamide
CID 113335069
2-[(3-bromo-4-fluorophenyl)methyl-ethylamino]-N-methylacetamide
CID 61067005
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
N-[[2-(aminomethyl)-4-pyridinyl]methyl]-N-butylbutan-1-amine
CID 63886675
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 62465889
N-(2-aminoethyl)-2-[ethyl(pyridin-4-ylmethyl)amino]acetamide
CID 54948657
2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
CID 62472420
2-[(3-amino-5-methoxyphenyl)methyl-ethylamino]-N-methylacetamide
CID 81149931

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide?
The IUPAC name of 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide (CID 63887456) is 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide.
What is the SMILES notation for 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide?
The canonical SMILES for 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide is CCN(CC(=O)NC)Cc1ccnc(CN)c1.
What is the InChIKey of 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide?
The InChIKey is GKEVVZPWOSCJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-16(9-12(17)14-2)8-10-4-5-15-11(6-10)7-13/h4-6H,3,7-9,13H2,1-2H3,(H,14,17).
What are the key properties of 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide?
2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide has a molecular weight of 236.32 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide is sourced from PubChem (CID 63887456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).