4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

C19H23N3O2 — CID 109047745

IUPAC4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-4-13-22(2)19(24)17-7-5-16(6-8-17)18(23)21-14-15-9-11-20-12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyFUHUYJXDGCRJKR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.88
Rot. Bonds7

About 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide

4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (PubChem CID 109047745) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
PubChem CID109047745
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
SMILESCCCCN(C)C(=O)c1ccc(C(=O)NCc2ccncc2)cc1
InChIInChI=1S/C19H23N3O2/c1-3-4-13-22(2)19(24)17-7-5-16(6-8-17)18(23)21-14-15-9-11-20-12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChIKeyFUHUYJXDGCRJKR-UHFFFAOYSA-N
XLogP2.88
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-butyl-N-methylpyridine-4-carboxamide;hydrochloride
CID 110756274
6-[butyl(methyl)amino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158137
4-N-benzyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide
CID 109047086
4-[ethylsulfonyl(methyl)amino]-N-(pyridin-4-ylmethyl)benzamide
CID 17200575
4-N-butyl-4-N-methyl-1-N-(2-phenylethyl)benzene-1,4-dicarboxamide
CID 109047835
6-(dipropylamino)-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109158139
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
1-N-[(2-fluorophenyl)methyl]-4-N-methyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109047167
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
4-N-butyl-1-N-[(2-methoxyphenyl)methyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047373
N-butyl-N-methyl-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191631

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The IUPAC name of 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide (CID 109047745) is 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide.
What is the SMILES notation for 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The canonical SMILES for 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is CCCCN(C)C(=O)c1ccc(C(=O)NCc2ccncc2)cc1.
What is the InChIKey of 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
The InChIKey is FUHUYJXDGCRJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-3-4-13-22(2)19(24)17-7-5-16(6-8-17)18(23)21-14-15-9-11-20-12-10-15/h5-12H,3-4,13-14H2,1-2H3,(H,21,23).
What are the key properties of 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide?
4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-methyl-1-N-(pyridin-4-ylmethyl)benzene-1,4-dicarboxamide is sourced from PubChem (CID 109047745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).