4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide

C20H27N3O3 — CID 109218350

IUPAC4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ccn1
InChIInChI=1S/C20H27N3O3/c1-5-11-23(12-6-2)20(24)17-13-16(9-10-21-17)22-15-7-8-18(25-3)19(14-15)26-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22)
InChIKeyBOSCRNHXWMLDJN-UHFFFAOYSA-N
MW357.45 g/mol
LogP4.10
Rot. Bonds9

About 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide

4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109218350) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
PubChem CID109218350
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ccn1
InChIInChI=1S/C20H27N3O3/c1-5-11-23(12-6-2)20(24)17-13-16(9-10-21-17)22-15-7-8-18(25-3)19(14-15)26-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22)
InChIKeyBOSCRNHXWMLDJN-UHFFFAOYSA-N
XLogP4.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
6-(3,4-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126254
4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313017
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
4-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 62249260
4-(3,4-dimethoxyanilino)-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109220745
N-propyl-4-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109201155

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide (CID 109218350) is 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccc(OC)c(OC)c2)ccn1.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is BOSCRNHXWMLDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-5-11-23(12-6-2)20(24)17-13-16(9-10-21-17)22-15-7-8-18(25-3)19(14-15)26-4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,21,22).
What are the key properties of 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide?
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 4.10, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109218350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).