N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

C15H20N4O2 — CID 29257580

IUPACN,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2cnn(C(C)C)c2)c[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(2)19-9-12(6-17-19)8-18(4)15(21)13-7-16-11(3)5-14(13)20/h5-7,9-10H,8H2,1-4H3,(H,16,20)
InChIKeyOFEHVYIXTOODDK-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.73
Rot. Bonds4

About N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide

N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (PubChem CID 29257580) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
PubChem CID29257580
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC NameN,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2cnn(C(C)C)c2)c[nH]1
InChIInChI=1S/C15H20N4O2/c1-10(2)19-9-12(6-17-19)8-18(4)15(21)13-7-16-11(3)5-14(13)20/h5-7,9-10H,8H2,1-4H3,(H,16,20)
InChIKeyOFEHVYIXTOODDK-UHFFFAOYSA-N
XLogP1.73
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide (CID 29257580) is N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2cnn(C(C)C)c2)c[nH]1.
What is the InChIKey of N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
The InChIKey is OFEHVYIXTOODDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)19-9-12(6-17-19)8-18(4)15(21)13-7-16-11(3)5-14(13)20/h5-7,9-10H,8H2,1-4H3,(H,16,20).
What are the key properties of N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide?
N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-4-oxo-N-[(1-propan-2-ylpyrazol-4-yl)methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 29257580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).