N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide

C22H24N4OS — CID 113021087

IUPACN-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(NC(=O)c4cccs4)cn3)cc2)CC1
InChIInChI=1S/C22H24N4OS/c1-16-10-12-26(13-11-16)19-7-4-17(5-8-19)24-21-9-6-18(15-23-21)25-22(27)20-3-2-14-28-20/h2-9,14-16H,10-13H2,1H3,(H,23,24)(H,25,27)
InChIKeyFLZCKSZDOCWQNS-UHFFFAOYSA-N
MW392.53 g/mol
LogP5.38
Rot. Bonds5

About N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide

N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide (PubChem CID 113021087) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
PubChem CID113021087
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC NameN-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide
SMILESCC1CCN(c2ccc(Nc3ccc(NC(=O)c4cccs4)cn3)cc2)CC1
InChIInChI=1S/C22H24N4OS/c1-16-10-12-26(13-11-16)19-7-4-17(5-8-19)24-21-9-6-18(15-23-21)25-22(27)20-3-2-14-28-20/h2-9,14-16H,10-13H2,1H3,(H,23,24)(H,25,27)
InChIKeyFLZCKSZDOCWQNS-UHFFFAOYSA-N
XLogP5.38
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.53
LogP ≤ 55.38
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

tert-butyl N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]carbamate
CID 113021092
N-[6-[4-(trifluoromethyl)anilino]-3-pyridinyl]thiophene-2-carboxamide
CID 113020253
methyl N-[5-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]carbamate
CID 113035718
N-[5-(4-phenylpiperazin-1-yl)-2-pyridinyl]thiophene-2-carboxamide
CID 113028800
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]methanesulfonamide
CID 113021097
N-[6-(2-methylanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113016087
N-[3-[[4-(3-methylpyrrolidin-1-yl)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56556230
N-[6-(3-methoxyanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113019386
N-[6-[4-[4-(4-hydroxypiperidin-1-yl)anilino]anilino]-3-pyridinyl]-1-methylpyrrole-3-carboxamide
CID 67113161
N-[6-(3-chloroanilino)-3-pyridinyl]thiophene-2-carboxamide
CID 113018501
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793
N-[4-(4-methylpiperidin-1-yl)phenyl]-1,2-thiazole-5-carboxamide
CID 110692228

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide (CID 113021087) is N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide is CC1CCN(c2ccc(Nc3ccc(NC(=O)c4cccs4)cn3)cc2)CC1.
What is the InChIKey of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
The InChIKey is FLZCKSZDOCWQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-16-10-12-26(13-11-16)19-7-4-17(5-8-19)24-21-9-6-18(15-23-21)25-22(27)20-3-2-14-28-20/h2-9,14-16H,10-13H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide?
N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(4-methylpiperidin-1-yl)anilino]-3-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113021087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).