N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

C18H20N6O2 — CID 72841290

IUPACN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C18H20N6O2/c1-3-23(11-13-8-21-24(4-2)12-13)18(26)15-10-20-16(22-17(15)25)14-6-5-7-19-9-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,22,25)
InChIKeyNLFKDOPUENOQBR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.71
Rot. Bonds6

About N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide

N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (PubChem CID 72841290) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
PubChem CID72841290
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide
SMILESCCN(Cc1cnn(CC)c1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O
InChIInChI=1S/C18H20N6O2/c1-3-23(11-13-8-21-24(4-2)12-13)18(26)15-10-20-16(22-17(15)25)14-6-5-7-19-9-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,22,25)
InChIKeyNLFKDOPUENOQBR-UHFFFAOYSA-N
XLogP1.71
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide (CID 72841290) is N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is CCN(Cc1cnn(CC)c1)C(=O)c1cnc(-c2cccnc2)[nH]c1=O.
What is the InChIKey of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
The InChIKey is NLFKDOPUENOQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-3-23(11-13-8-21-24(4-2)12-13)18(26)15-10-20-16(22-17(15)25)14-6-5-7-19-9-14/h5-10,12H,3-4,11H2,1-2H3,(H,20,22,25).
What are the key properties of N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide?
N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]-6-oxo-2-pyridin-3-yl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 72841290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).