N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide

C20H27N3O — CID 109175898

IUPACN-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C20H27N3O/c1-5-11-23(12-6-2)19-14-17(9-10-21-19)20(24)22-18-8-7-15(3)16(4)13-18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,24)
InChIKeySPPZRRUDPSKAQH-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.58
Rot. Bonds7

About N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide

N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide (PubChem CID 109175898) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
PubChem CID109175898
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide
SMILESCCCN(CCC)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1
InChIInChI=1S/C20H27N3O/c1-5-11-23(12-6-2)19-14-17(9-10-21-19)20(24)22-18-8-7-15(3)16(4)13-18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,24)
InChIKeySPPZRRUDPSKAQH-UHFFFAOYSA-N
XLogP4.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175913
2-(dipropylamino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109175918
2-(dipropylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109175938
N-tert-butyl-2-(dipropylamino)pyridine-4-carboxamide
CID 109174998
N-[3-(dimethylamino)propyl]-2-(dipropylamino)pyridine-4-carboxamide
CID 109168202
N-(2,4-difluorophenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175949
2-(dipropylamino)-N-(2,3,4-trifluorophenyl)pyridine-4-carboxamide
CID 109175957
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175912
N-(4-acetamidophenyl)-2-[butyl(methyl)amino]pyridine-4-carboxamide
CID 109175595
2-N-(3,4-dimethylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088798
4-N-(3,4-dimethylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091876
3-N-butyl-1-N-(3,4-dimethylphenyl)-3-N-methylbenzene-1,3-dicarboxamide
CID 109056365

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide (CID 109175898) is N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide is CCCN(CCC)c1cc(C(=O)Nc2ccc(C)c(C)c2)ccn1.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?
The InChIKey is SPPZRRUDPSKAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-5-11-23(12-6-2)19-14-17(9-10-21-19)20(24)22-18-8-7-15(3)16(4)13-18/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide?
N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(dipropylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109175898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).