4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide

C24H26N4O — CID 109218893

IUPAC4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc(Nc4ccccc4)ccn3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-18-12-15-28(16-13-18)22-9-7-20(8-10-22)27-24(29)23-17-21(11-14-25-23)26-19-5-3-2-4-6-19/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,25,26)(H,27,29)
InChIKeyRDCHRPWSNALTIZ-UHFFFAOYSA-N
MW386.50 g/mol
LogP5.31
Rot. Bonds5

About 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide

4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide (PubChem CID 109218893) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
PubChem CID109218893
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide
SMILESCC1CCN(c2ccc(NC(=O)c3cc(Nc4ccccc4)ccn3)cc2)CC1
InChIInChI=1S/C24H26N4O/c1-18-12-15-28(16-13-18)22-9-7-20(8-10-22)27-24(29)23-17-21(11-14-25-23)26-19-5-3-2-4-6-19/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,25,26)(H,27,29)
InChIKeyRDCHRPWSNALTIZ-UHFFFAOYSA-N
XLogP5.31
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 55.31
H-Bond Donors ≤ 52
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

4-anilino-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109218895
2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109313461
N-[4-(4-methylpiperidin-1-yl)phenyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 109206689
azepan-1-yl-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218600
[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204507
2-N-[4-(4-methylpiperidin-1-yl)phenyl]-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078164
(3-methylpiperidin-1-yl)-[4-[4-(4-methylpiperidin-1-yl)anilino]-2-pyridinyl]methanone
CID 109218161
4-(4-methylanilino)-N-phenylpyridine-2-carboxamide
CID 109218739
4-(4-methylpiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109205376
4-N-butyl-2-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109079331
N-phenyl-4-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109218754
4-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxylic acid
CID 63180412

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide (CID 109218893) is 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide is CC1CCN(c2ccc(NC(=O)c3cc(Nc4ccccc4)ccn3)cc2)CC1.
What is the InChIKey of 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is RDCHRPWSNALTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-18-12-15-28(16-13-18)22-9-7-20(8-10-22)27-24(29)23-17-21(11-14-25-23)26-19-5-3-2-4-6-19/h2-11,14,17-18H,12-13,15-16H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide?
4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 5.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109218893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).