3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide

C22H29N5O2 — CID 109104148

IUPAC3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCN(C)CCNC(=O)c1cncc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H29N5O2/c1-26(2)13-10-24-21(28)17-14-18(16-23-15-17)22(29)25-19-6-8-20(9-7-19)27-11-4-3-5-12-27/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNOJQKKZWQFVQIO-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.62
Rot. Bonds7

About 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide

3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide (PubChem CID 109104148) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
PubChem CID109104148
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
SMILESCN(C)CCNC(=O)c1cncc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C22H29N5O2/c1-26(2)13-10-24-21(28)17-14-18(16-23-15-17)22(29)25-19-6-8-20(9-7-19)27-11-4-3-5-12-27/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,24,28)(H,25,29)
InChIKeyNOJQKKZWQFVQIO-UHFFFAOYSA-N
XLogP2.62
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.62
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-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
1-N-[2-(dimethylamino)ethyl]-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109053246
3-N-(2-methoxyethyl)-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103527
3-N-(3-methoxypropyl)-5-N-(4-pyrrolidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103690
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
5-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226589
5-piperidin-1-yl-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109226590
3-N-[2-(dimethylamino)ethyl]-5-N-(4-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109104100
3-N-[2-(dimethylamino)ethyl]-5-N-(4-propan-2-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104104
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
5-N-(1,3-benzodioxol-5-yl)-3-N-[2-(dimethylamino)ethyl]pyridine-3,5-dicarboxamide
CID 109104153

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide (CID 109104148) is 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide is CN(C)CCNC(=O)c1cncc(C(=O)Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide?
The InChIKey is NOJQKKZWQFVQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-26(2)13-10-24-21(28)17-14-18(16-23-15-17)22(29)25-19-6-8-20(9-7-19)27-11-4-3-5-12-27/h6-9,14-16H,3-5,10-13H2,1-2H3,(H,24,28)(H,25,29).
What are the key properties of 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide?
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide is sourced from PubChem (CID 109104148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).