N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide

C18H22N4O2 — CID 99629929

IUPACN-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)c1
InChIInChI=1S/C18H22N4O2/c1-13-10-14(12-19-11-13)20-17(23)18(24)22-9-4-3-6-16(22)15-7-5-8-21(15)2/h5,7-8,10-12,16H,3-4,6,9H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyLOEKIZPFXJEWMS-MRXNPFEDSA-N
MW326.40 g/mol
LogP2.42
Rot. Bonds2

About N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide

N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide (PubChem CID 99629929) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
PubChem CID99629929
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide
SMILESCc1cncc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)c1
InChIInChI=1S/C18H22N4O2/c1-13-10-14(12-19-11-13)20-17(23)18(24)22-9-4-3-6-16(22)15-7-5-8-21(15)2/h5,7-8,10-12,16H,3-4,6,9H2,1-2H3,(H,20,23)/t16-/m1/s1
InChIKeyLOEKIZPFXJEWMS-MRXNPFEDSA-N
XLogP2.42
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide (CID 99629929) is N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide is Cc1cncc(NC(=O)C(=O)N2CCCC[C@@H]2c2cccn2C)c1.
What is the InChIKey of N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
The InChIKey is LOEKIZPFXJEWMS-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-13-10-14(12-19-11-13)20-17(23)18(24)22-9-4-3-6-16(22)15-7-5-8-21(15)2/h5,7-8,10-12,16H,3-4,6,9H2,1-2H3,(H,20,23)/t16-/m1/s1.
What are the key properties of N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide?
N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide has a molecular weight of 326.40 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-3-pyridinyl)-2-[(2R)-2-(1-methylpyrrol-2-yl)piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 99629929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).