N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

C14H18N4O3 — CID 50961056

IUPACN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C14H18N4O3/c1-17-9-11(8-15-17)10-18(6-7-21-2)14(20)12-4-3-5-13(19)16-12/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19)
InChIKeyVSHUYPIELQZVRI-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.40
Rot. Bonds6

About N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide

N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (PubChem CID 50961056) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
PubChem CID50961056
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C14H18N4O3/c1-17-9-11(8-15-17)10-18(6-7-21-2)14(20)12-4-3-5-13(19)16-12/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19)
InChIKeyVSHUYPIELQZVRI-UHFFFAOYSA-N
XLogP0.40
TPSA80.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide (CID 50961056) is N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is COCCN(Cc1cnn(C)c1)C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
The InChIKey is VSHUYPIELQZVRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-17-9-11(8-15-17)10-18(6-7-21-2)14(20)12-4-3-5-13(19)16-12/h3-5,8-9H,6-7,10H2,1-2H3,(H,16,19).
What are the key properties of N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide?
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide is sourced from PubChem (CID 50961056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).