N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide

C25H28N4O3 — CID 44573292

IUPACN-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-31-20-8-9-21(22(17-20)32-2)24(30)28-25(18-6-4-3-5-7-18)11-14-29(15-12-25)23-16-19(26)10-13-27-23/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,30)
InChIKeyRRNKSCCNNRENEU-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.61
Rot. Bonds6

About N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide

N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide (PubChem CID 44573292) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide
PubChem CID44573292
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC NameN-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)c(OC)c1
InChIInChI=1S/C25H28N4O3/c1-31-20-8-9-21(22(17-20)32-2)24(30)28-25(18-6-4-3-5-7-18)11-14-29(15-12-25)23-16-19(26)10-13-27-23/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,30)
InChIKeyRRNKSCCNNRENEU-UHFFFAOYSA-N
XLogP3.61
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide?
The IUPAC name of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide (CID 44573292) is N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide.
What is the SMILES notation for N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide?
The canonical SMILES for N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide is COc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)c(OC)c1.
What is the InChIKey of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide?
The InChIKey is RRNKSCCNNRENEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-20-8-9-21(22(17-20)32-2)24(30)28-25(18-6-4-3-5-7-18)11-14-29(15-12-25)23-16-19(26)10-13-27-23/h3-10,13,16-17H,11-12,14-15H2,1-2H3,(H2,26,27)(H,28,30).
What are the key properties of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide?
N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide has a molecular weight of 432.52 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-2,4-dimethoxybenzamide is sourced from PubChem (CID 44573292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).