N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

C14H16N4O2 — CID 103717969

IUPACN-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cnccc2N(C)C)c[nH]1
InChIInChI=1S/C14H16N4O2/c1-9-6-13(19)10(7-16-9)14(20)17-11-8-15-5-4-12(11)18(2)3/h4-8H,1-3H3,(H,16,19)(H,17,20)
InChIKeyNHXFFHZXWLGWCU-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.40
Rot. Bonds3

About N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide

N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103717969) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103717969
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2cnccc2N(C)C)c[nH]1
InChIInChI=1S/C14H16N4O2/c1-9-6-13(19)10(7-16-9)14(20)17-11-8-15-5-4-12(11)18(2)3/h4-8H,1-3H3,(H,16,19)(H,17,20)
InChIKeyNHXFFHZXWLGWCU-UHFFFAOYSA-N
XLogP1.40
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide (CID 103717969) is N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2cnccc2N(C)C)c[nH]1.
What is the InChIKey of N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NHXFFHZXWLGWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-6-13(19)10(7-16-9)14(20)17-11-8-15-5-4-12(11)18(2)3/h4-8H,1-3H3,(H,16,19)(H,17,20).
What are the key properties of N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide?
N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-3-pyridinyl]-6-methyl-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103717969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).