N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide

C20H28N4O — CID 109180770

IUPACN-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-4-7-14-21-20(25)19-13-10-17(15-22-19)23-16-8-11-18(12-9-16)24(5-2)6-3/h8-13,15,23H,4-7,14H2,1-3H3,(H,21,25)
InChIKeyIMAKRZXMFYUQHO-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.20
Rot. Bonds9

About N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide

N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide (PubChem CID 109180770) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
PubChem CID109180770
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
SMILESCCCCNC(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)cn1
InChIInChI=1S/C20H28N4O/c1-4-7-14-21-20(25)19-13-10-17(15-22-19)23-16-8-11-18(12-9-16)24(5-2)6-3/h8-13,15,23H,4-7,14H2,1-3H3,(H,21,25)
InChIKeyIMAKRZXMFYUQHO-UHFFFAOYSA-N
XLogP4.20
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
N-butyl-5-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109180759
N-butyl-5-(3,5-dimethylanilino)pyridine-2-carboxamide
CID 109180718
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188225
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
5-(4-cyanoanilino)-N-pentylpyridine-2-carboxamide
CID 109195813
N-butyl-5-(2,4-dimethylanilino)pyridine-2-carboxamide
CID 109180715
5-(3-bromoanilino)-N-pentylpyridine-2-carboxamide
CID 109195790
5-(3-acetamidoanilino)-N-pentylpyridine-2-carboxamide
CID 109195775
5-(3-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109195788
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide?
The IUPAC name of N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide (CID 109180770) is N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide?
The canonical SMILES for N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide is CCCCNC(=O)c1ccc(Nc2ccc(N(CC)CC)cc2)cn1.
What is the InChIKey of N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide?
The InChIKey is IMAKRZXMFYUQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-7-14-21-20(25)19-13-10-17(15-22-19)23-16-8-11-18(12-9-16)24(5-2)6-3/h8-13,15,23H,4-7,14H2,1-3H3,(H,21,25).
What are the key properties of N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide?
N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide is sourced from PubChem (CID 109180770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).