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

C18H22N4O2 — CID 109101177

IUPAC5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H22N4O2/c1-3-7-21-17(23)15-11-16(13-20-12-15)18(24)22(2)10-6-14-4-8-19-9-5-14/h4-5,8-9,11-13H,3,6-7,10H2,1-2H3,(H,21,23)
InChIKeyHETGIJSODVSAOP-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.93
Rot. Bonds7

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

5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (PubChem CID 109101177) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
PubChem CID109101177
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1
InChIInChI=1S/C18H22N4O2/c1-3-7-21-17(23)15-11-16(13-20-12-15)18(24)22(2)10-6-14-4-8-19-9-5-14/h4-5,8-9,11-13H,3,6-7,10H2,1-2H3,(H,21,23)
InChIKeyHETGIJSODVSAOP-UHFFFAOYSA-N
XLogP1.93
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
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
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
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3-N-(2-chlorophenyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109106473
5-N-[2-(dimethylamino)ethyl]-3-N-propylpyridine-3,5-dicarboxamide
CID 109101145
3-N-methyl-1-N-(2-phenylethyl)-3-N-(2-pyridin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109055260
5-N-butyl-3-N-[2-(4-chlorophenyl)ethyl]-5-N-methylpyridine-3,5-dicarboxamide
CID 109106596

Frequently Asked Questions

What is the IUPAC name of 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide (CID 109101177) is 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is CCCNC(=O)c1cncc(C(=O)N(C)CCc2ccncc2)c1.
What is the InChIKey of 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
The InChIKey is HETGIJSODVSAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-7-21-17(23)15-11-16(13-20-12-15)18(24)22(2)10-6-14-4-8-19-9-5-14/h4-5,8-9,11-13H,3,6-7,10H2,1-2H3,(H,21,23).
What are the key properties of 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide?
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).