4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide

C20H28N4O — CID 109218362

IUPAC4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C20H28N4O/c1-5-13-24(14-6-2)20(25)19-15-17(11-12-21-19)22-16-7-9-18(10-8-16)23(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,21,22)
InChIKeyDZMYVLLACSNDPH-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.15
Rot. Bonds8

About 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide

4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide (PubChem CID 109218362) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
PubChem CID109218362
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
SMILESCCCN(CCC)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C20H28N4O/c1-5-13-24(14-6-2)20(25)19-15-17(11-12-21-19)22-16-7-9-18(10-8-16)23(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,21,22)
InChIKeyDZMYVLLACSNDPH-UHFFFAOYSA-N
XLogP4.15
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350
N,N-dipropyl-4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109218364
4-(3-methylanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218313
4-(3-acetamidoanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218356
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
4-(2,6-difluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218386
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266
4-hydrazinyl-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 62249260
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide (CID 109218362) is 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide is CCCN(CCC)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide?
The InChIKey is DZMYVLLACSNDPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-13-24(14-6-2)20(25)19-15-17(11-12-21-19)22-16-7-9-18(10-8-16)23(3)4/h7-12,15H,5-6,13-14H2,1-4H3,(H,21,22).
What are the key properties of 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide?
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.15, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide is sourced from PubChem (CID 109218362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).