N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

C22H24N6O2 — CID 52936532

IUPACN-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ncn1
InChIInChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)
InChIKeyFHTBSCKDUYIEAH-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.12
Rot. Bonds5

About N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide

N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (PubChem CID 52936532) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
PubChem CID52936532
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC NameN-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide
SMILESCNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ncn1
InChIInChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26)
InChIKeyFHTBSCKDUYIEAH-UHFFFAOYSA-N
XLogP3.12
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The IUPAC name of N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide (CID 52936532) is N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The canonical SMILES for N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is CNc1cc(-c2c[nH]c(=O)c(NC(=O)c3ccc(N4CCCCC4)cc3)c2)ncn1.
What is the InChIKey of N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
The InChIKey is FHTBSCKDUYIEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-23-20-12-18(25-14-26-20)16-11-19(22(30)24-13-16)27-21(29)15-5-7-17(8-6-15)28-9-3-2-4-10-28/h5-8,11-14H,2-4,9-10H2,1H3,(H,24,30)(H,27,29)(H,23,25,26).
What are the key properties of N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide?
N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide has a molecular weight of 404.47 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[6-(methylamino)pyrimidin-4-yl]-2-oxo-1H-pyridin-3-yl]-4-piperidin-1-ylbenzamide is sourced from PubChem (CID 52936532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).