N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide

C21H24N4OS — CID 113022556

IUPACN-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccs3)cn2)c(C)c1
InChIInChI=1S/C21H24N4OS/c1-4-25(5-2)17-9-10-18(15(3)13-17)24-20-11-8-16(14-22-20)23-21(26)19-7-6-12-27-19/h6-14H,4-5H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyHUHMNAHRDREIBO-UHFFFAOYSA-N
MW380.52 g/mol
LogP5.29
Rot. Bonds7

About N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 113022556) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID113022556
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC NameN-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccs3)cn2)c(C)c1
InChIInChI=1S/C21H24N4OS/c1-4-25(5-2)17-9-10-18(15(3)13-17)24-20-11-8-16(14-22-20)23-21(26)19-7-6-12-27-19/h6-14H,4-5H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyHUHMNAHRDREIBO-UHFFFAOYSA-N
XLogP5.29
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.52
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]-2-methylbenzamide
CID 113022558
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[5-(2,4-dimethylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113031951
N-[5-(4-chloro-2-methylanilino)-2-pyridinyl]thiophene-2-carboxamide
CID 113033560
N-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-2-phenylacetamide
CID 113036965
1-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]-3-propan-2-ylurea
CID 113036973
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
N-[4-(diethylamino)phenyl]-5-(2,4-dimethylanilino)pyrazine-2-carboxamide
CID 109290811
1-cyclopropyl-3-[5-[4-(diethylamino)-2-methylanilino]-2-pyridinyl]urea
CID 113036974
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
CID 109265163

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide (CID 113022556) is N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide is CCN(CC)c1ccc(Nc2ccc(NC(=O)c3cccs3)cn2)c(C)c1.
What is the InChIKey of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is HUHMNAHRDREIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-4-25(5-2)17-9-10-18(15(3)13-17)24-20-11-8-16(14-22-20)23-21(26)19-7-6-12-27-19/h6-14H,4-5H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 380.52 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(diethylamino)-2-methylanilino]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113022556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).