2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

C22H24N6O — CID 109258918

IUPAC2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C22H24N6O/c29-21(24-14-17-5-4-10-23-13-17)18-15-25-22(26-16-18)27-19-6-8-20(9-7-19)28-11-2-1-3-12-28/h4-10,13,15-16H,1-3,11-12,14H2,(H,24,29)(H,25,26,27)
InChIKeyOINQUAJAGNFFPT-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.54
Rot. Bonds6

About 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide

2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (PubChem CID 109258918) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
PubChem CID109258918
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
SMILESO=C(NCc1cccnc1)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C22H24N6O/c29-21(24-14-17-5-4-10-23-13-17)18-15-25-22(26-16-18)27-19-6-8-20(9-7-19)28-11-2-1-3-12-28/h4-10,13,15-16H,1-3,11-12,14H2,(H,24,29)(H,25,26,27)
InChIKeyOINQUAJAGNFFPT-UHFFFAOYSA-N
XLogP3.54
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(pyridin-4-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109259201
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[(2-fluorophenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109256979
1-N'-(4-piperidin-1-ylphenyl)-1-N-(pyridin-3-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976886
N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)acetamide
CID 44754054
N-(4-piperidin-1-ylphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307275
4-N-(4-piperidin-1-ylphenyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893631
6-[4-(4-fluorophenyl)piperazin-1-yl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157937
[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109262419
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
N-(4-piperidin-1-ylphenyl)-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213203

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide (CID 109258918) is 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is O=C(NCc1cccnc1)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1.
What is the InChIKey of 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
The InChIKey is OINQUAJAGNFFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-21(24-14-17-5-4-10-23-13-17)18-15-25-22(26-16-18)27-19-6-8-20(9-7-19)28-11-2-1-3-12-28/h4-10,13,15-16H,1-3,11-12,14H2,(H,24,29)(H,25,26,27).
What are the key properties of 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide?
2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide has a molecular weight of 388.48 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109258918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).