N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide

C17H21N5O2 — CID 122356553

IUPACN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H21N5O2/c1-11-14(12(2)19-17(18-11)22-9-4-5-10-22)20-15(23)13-7-6-8-21(3)16(13)24/h6-8H,4-5,9-10H2,1-3H3,(H,20,23)
InChIKeyGNEPIVJAUPEVNB-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.64
Rot. Bonds3

About N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide

N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 122356553) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID122356553
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccn(C)c1=O
InChIInChI=1S/C17H21N5O2/c1-11-14(12(2)19-17(18-11)22-9-4-5-10-22)20-15(23)13-7-6-8-21(3)16(13)24/h6-8H,4-5,9-10H2,1-3H3,(H,20,23)
InChIKeyGNEPIVJAUPEVNB-UHFFFAOYSA-N
XLogP1.64
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide (CID 122356553) is N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide is Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is GNEPIVJAUPEVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11-14(12(2)19-17(18-11)22-9-4-5-10-22)20-15(23)13-7-6-8-21(3)16(13)24/h6-8H,4-5,9-10H2,1-3H3,(H,20,23).
What are the key properties of N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-5-yl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 122356553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).