N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

C18H22N4O3 — CID 172662795

IUPACN-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCOc1ccnc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1
InChIInChI=1S/C18H22N4O3/c1-12-6-10-22(13-3-7-19-8-4-13)18(24)16(12)17(23)21-15-11-14(25-2)5-9-20-15/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,20,21,23)
InChIKeyUKIMWSXNECSCBT-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.74
Rot. Bonds4

About N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide

N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (PubChem CID 172662795) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
PubChem CID172662795
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide
SMILESCOc1ccnc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1
InChIInChI=1S/C18H22N4O3/c1-12-6-10-22(13-3-7-19-8-4-13)18(24)16(12)17(23)21-15-11-14(25-2)5-9-20-15/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,20,21,23)
InChIKeyUKIMWSXNECSCBT-UHFFFAOYSA-N
XLogP1.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide (CID 172662795) is N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is COc1ccnc(NC(=O)c2c(C)ccn(C3CCNCC3)c2=O)c1.
What is the InChIKey of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
The InChIKey is UKIMWSXNECSCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-6-10-22(13-3-7-19-8-4-13)18(24)16(12)17(23)21-15-11-14(25-2)5-9-20-15/h5-6,9-11,13,19H,3-4,7-8H2,1-2H3,(H,20,21,23).
What are the key properties of N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide?
N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-2-pyridinyl)-4-methyl-2-oxo-1-piperidin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 172662795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).