3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

C20H27N5O2 — CID 109104288

IUPAC3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C20H27N5O2/c1-24(2)11-4-8-23-19(26)17-13-18(15-22-14-17)20(27)25(3)12-7-16-5-9-21-10-6-16/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H,23,26)
InChIKeyDGIKORYJCVMVBM-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.47
Rot. Bonds9

About 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide

3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109104288) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID109104288
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCN(C)CCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C20H27N5O2/c1-24(2)11-4-8-23-19(26)17-13-18(15-22-14-17)20(27)25(3)12-7-16-5-9-21-10-6-16/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H,23,26)
InChIKeyDGIKORYJCVMVBM-UHFFFAOYSA-N
XLogP1.47
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
5-N-[3-(dimethylamino)propyl]-3-N-(3-phenylpropyl)pyridine-3,5-dicarboxamide
CID 109104300
5-N-methyl-3-N-propan-2-yl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101373
3-N-tert-butyl-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106447
2-N-[3-(dimethylamino)propyl]-6-N-methyl-6-N-(2-pyridin-4-ylethyl)pyridine-2,6-dicarboxamide
CID 109096535
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
N-butyl-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109224385
5-[methyl(2-pyridin-4-ylethyl)amino]-N-pentylpyridine-3-carboxamide
CID 109237075
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473

Frequently Asked Questions

What is the IUPAC name of 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (CID 109104288) is 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is CN(C)CCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is DGIKORYJCVMVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-24(2)11-4-8-23-19(26)17-13-18(15-22-14-17)20(27)25(3)12-7-16-5-9-21-10-6-16/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3,(H,23,26).
What are the key properties of 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.47, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).