4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide

C18H22N4O2 — CID 133314091

IUPAC4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide
SMILESCOc1ccc(N2CCC(Nc3ccnc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-16-4-2-15(3-5-16)22-10-7-13(8-11-22)21-14-6-9-20-17(12-14)18(19)23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,19,23)(H,20,21)
InChIKeySRCGLTOLWRLXAG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.27
Rot. Bonds5

About 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide

4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide (PubChem CID 133314091) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide
PubChem CID133314091
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide
SMILESCOc1ccc(N2CCC(Nc3ccnc(C(N)=O)c3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-16-4-2-15(3-5-16)22-10-7-13(8-11-22)21-14-6-9-20-17(12-14)18(19)23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,19,23)(H,20,21)
InChIKeySRCGLTOLWRLXAG-UHFFFAOYSA-N
XLogP2.27
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
4-(cyclopropylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2-carboxamide
CID 109202033
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
4-[[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]amino]pyridine-2-carboxamide
CID 154794198
4-[4-(3-methoxyphenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313294
[5-(cyclohexylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109183140
[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109202741
4-(cyclohexylamino)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109204933
6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde
CID 167863799
[6-(cyclopentylamino)pyridazin-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 109112159
methyl 4-[[4-(methylamino)cyclohexyl]amino]pyridine-2-carboxylate
CID 79110249

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide (CID 133314091) is 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide is COc1ccc(N2CCC(Nc3ccnc(C(N)=O)c3)CC2)cc1.
What is the InChIKey of 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
The InChIKey is SRCGLTOLWRLXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-4-2-15(3-5-16)22-10-7-13(8-11-22)21-14-6-9-20-17(12-14)18(19)23/h2-6,9,12-13H,7-8,10-11H2,1H3,(H2,19,23)(H,20,21).
What are the key properties of 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide?
4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 133314091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).