N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide

C23H25N5O2 — CID 44573405

IUPACN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(c2ccccn2)C2CCN(c3cc(N)ccn3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-30-20-6-4-5-17(15-20)23(29)28(21-7-2-3-11-25-21)19-9-13-27(14-10-19)22-16-18(24)8-12-26-22/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H2,24,26)
InChIKeySXNZZOLRRULMMG-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.38
Rot. Bonds5

About N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide

N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide (PubChem CID 44573405) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide
PubChem CID44573405
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide
SMILESCOc1cccc(C(=O)N(c2ccccn2)C2CCN(c3cc(N)ccn3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-30-20-6-4-5-17(15-20)23(29)28(21-7-2-3-11-25-21)19-9-13-27(14-10-19)22-16-18(24)8-12-26-22/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H2,24,26)
InChIKeySXNZZOLRRULMMG-UHFFFAOYSA-N
XLogP3.38
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide?
The IUPAC name of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide (CID 44573405) is N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide.
What is the SMILES notation for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide?
The canonical SMILES for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide is COc1cccc(C(=O)N(c2ccccn2)C2CCN(c3cc(N)ccn3)CC2)c1.
What is the InChIKey of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide?
The InChIKey is SXNZZOLRRULMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-30-20-6-4-5-17(15-20)23(29)28(21-7-2-3-11-25-21)19-9-13-27(14-10-19)22-16-18(24)8-12-26-22/h2-8,11-12,15-16,19H,9-10,13-14H2,1H3,(H2,24,26).
What are the key properties of N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide?
N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-pyridinyl)piperidin-4-yl]-3-methoxy-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 44573405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).