ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate

C12H20N4O2 — CID 113010767

IUPACethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCN(C)C)nc1
InChIInChI=1S/C12H20N4O2/c1-4-18-12(17)15-10-5-6-11(14-9-10)13-7-8-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyBLMLQXCAGYHXMI-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.62
Rot. Bonds6

About ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate

ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate (PubChem CID 113010767) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
PubChem CID113010767
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Nameethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
SMILESCCOC(=O)Nc1ccc(NCCN(C)C)nc1
InChIInChI=1S/C12H20N4O2/c1-4-18-12(17)15-10-5-6-11(14-9-10)13-7-8-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)(H,15,17)
InChIKeyBLMLQXCAGYHXMI-UHFFFAOYSA-N
XLogP1.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]butanamide
CID 113010701
ethyl 4-[[6-[2-(dimethylamino)ethylamino]pyridine-3-carbonyl]amino]benzoate
CID 109153832
4-tert-butyl-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010730
ethyl N-[6-(propan-2-ylamino)-3-pyridinyl]carbamate
CID 115268615
N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]cyclobutanecarboxamide
CID 113010772
ethyl N-[6-[2-(3,4-dimethoxyphenyl)ethylamino]-3-pyridinyl]carbamate
CID 113013912
2-bromo-N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]benzamide
CID 113010719
ethyl N-[5-(4-tert-butylanilino)-2-pyridinyl]carbamate
CID 113032953
N-[5-[2-(dimethylamino)ethylamino]-2-pyridinyl]pentanamide
CID 113025485
methyl 4-[[5-(ethoxycarbonylamino)-2-pyridinyl]amino]benzoate
CID 113020771
ethyl N-[6-[(3,4-dimethoxyphenyl)methylamino]-3-pyridinyl]carbamate
CID 113014023
ethyl N-[6-(2,4-dimethylanilino)-3-pyridinyl]carbamate
CID 110178980

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate?
The IUPAC name of ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate (CID 113010767) is ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate.
What is the SMILES notation for ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate?
The canonical SMILES for ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate is CCOC(=O)Nc1ccc(NCCN(C)C)nc1.
What is the InChIKey of ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate?
The InChIKey is BLMLQXCAGYHXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-18-12(17)15-10-5-6-11(14-9-10)13-7-8-16(2)3/h5-6,9H,4,7-8H2,1-3H3,(H,13,14)(H,15,17).
What are the key properties of ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate?
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate has a molecular weight of 252.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate is sourced from PubChem (CID 113010767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).