2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide

C17H29N5O2 — CID 126961672

IUPAC2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
InChIInChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
InChIKeyWXFDDWMINUVYFL-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.33
Rot. Bonds10

About 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide

2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide (PubChem CID 126961672) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide
PubChem CID126961672
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide
SMILESCCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1
InChIInChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24)
InChIKeyWXFDDWMINUVYFL-UHFFFAOYSA-N
XLogP0.33
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide?
The IUPAC name of 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide (CID 126961672) is 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide?
The canonical SMILES for 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide is CCNC(=O)c1ccnc(CNCC(=O)N(CC)CCN(C)C)c1.
What is the InChIKey of 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide?
The InChIKey is WXFDDWMINUVYFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-5-19-17(24)14-7-8-20-15(11-14)12-18-13-16(23)22(6-2)10-9-21(3)4/h7-8,11,18H,5-6,9-10,12-13H2,1-4H3,(H,19,24).
What are the key properties of 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide?
2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.33, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N-ethylpyridine-4-carboxamide is sourced from PubChem (CID 126961672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).