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

C17H29N5O2 — CID 126961673

IUPAC2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)CNCc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
InChIKeyVHKSSHRSJGZQOV-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.28
Rot. Bonds9

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

2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide (PubChem CID 126961673) 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,N-dimethylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide
PubChem CID126961673
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide
SMILESCCN(CCN(C)C)C(=O)CNCc1cc(C(=O)N(C)C)ccn1
InChIInChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3
InChIKeyVHKSSHRSJGZQOV-UHFFFAOYSA-N
XLogP0.28
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.28
H-Bond Donors ≤ 51
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,N-dimethylpyridine-4-carboxamide?
The IUPAC name of 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide (CID 126961673) is 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide.
What is the SMILES notation for 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide?
The canonical SMILES for 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide is CCN(CCN(C)C)C(=O)CNCc1cc(C(=O)N(C)C)ccn1.
What is the InChIKey of 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide?
The InChIKey is VHKSSHRSJGZQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-6-22(10-9-20(2)3)16(23)13-18-12-15-11-14(7-8-19-15)17(24)21(4)5/h7-8,11,18H,6,9-10,12-13H2,1-5H3.
What are the key properties of 2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide?
2-[[[2-[2-(dimethylamino)ethyl-ethylamino]-2-oxoethyl]amino]methyl]-N,N-dimethylpyridine-4-carboxamide has a molecular weight of 335.45 g/mol, XLogP of 0.28, 9 rotatable bonds, 1 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,N-dimethylpyridine-4-carboxamide is sourced from PubChem (CID 126961673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).