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

C13H22N4O — CID 55075419

IUPAC2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide
SMILESCCNc1cc(CN(CC)CC(=O)NC)ccn1
InChIInChI=1S/C13H22N4O/c1-4-15-12-8-11(6-7-16-12)9-17(5-2)10-13(18)14-3/h6-8H,4-5,9-10H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyPITNDDHMXNZJSP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.08
Rot. Bonds7

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

2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide (PubChem CID 55075419) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide
PubChem CID55075419
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide
SMILESCCNc1cc(CN(CC)CC(=O)NC)ccn1
InChIInChI=1S/C13H22N4O/c1-4-15-12-8-11(6-7-16-12)9-17(5-2)10-13(18)14-3/h6-8H,4-5,9-10H2,1-3H3,(H,14,18)(H,15,16)
InChIKeyPITNDDHMXNZJSP-UHFFFAOYSA-N
XLogP1.08
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(ethylamino)-4-pyridinyl]methyl-methylamino]-N-methylacetamide
CID 62472420
2-[[2-(aminomethyl)-4-pyridinyl]methyl-ethylamino]-N-methylacetamide
CID 63887456
2-[(2-amino-2-oxoethyl)-[[2-(ethylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62923572
1-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-2-methylpropan-2-ol
CID 79376914
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N-ethylacetamide
CID 62465226
4-(diethylaminomethyl)-N-propylpyridin-2-amine
CID 62472000
2-[(3-amino-4-bromophenyl)methyl-ethylamino]-N-methylacetamide
CID 113335069
2-[ethyl-[(4-hydrazinyl-2-pyridinyl)methyl]amino]-N-methylacetamide
CID 79259822
N-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]ethanamine
CID 62470301
2-[(3-bromo-4-fluorophenyl)methyl-ethylamino]-N-methylacetamide
CID 61067005
2-[ethyl-[[2-(ethylamino)-1,3-thiazol-5-yl]methyl]amino]-N-methylacetamide
CID 79771358
N-ethyl-2-[methyl-[[2-(propylamino)-4-pyridinyl]methyl]amino]acetamide
CID 62465711

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide?
The IUPAC name of 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide (CID 55075419) is 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide.
What is the SMILES notation for 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide?
The canonical SMILES for 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide is CCNc1cc(CN(CC)CC(=O)NC)ccn1.
What is the InChIKey of 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide?
The InChIKey is PITNDDHMXNZJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-15-12-8-11(6-7-16-12)9-17(5-2)10-13(18)14-3/h6-8H,4-5,9-10H2,1-3H3,(H,14,18)(H,15,16).
What are the key properties of 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide?
2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide has a molecular weight of 250.35 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[2-(ethylamino)-4-pyridinyl]methyl]amino]-N-methylacetamide is sourced from PubChem (CID 55075419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).