N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C23H25N5O2 — CID 52936535

IUPACN-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)
InChIKeyIVBBODPPELNFAD-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.72
Rot. Bonds5

About N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 52936535) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID52936535
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29)
InChIKeyIVBBODPPELNFAD-UHFFFAOYSA-N
XLogP3.72
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 52936535) is N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CNc1cncc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)c1.
What is the InChIKey of N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is IVBBODPPELNFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-24-19-11-17(13-25-15-19)18-12-21(23(30)26-14-18)27-22(29)16-5-7-20(8-6-16)28-9-3-2-4-10-28/h5-8,11-15,24H,2-4,9-10H2,1H3,(H,26,30)(H,27,29).
What are the key properties of N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 403.49 g/mol, XLogP of 3.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(methylamino)-3-pyridinyl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 52936535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).