2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide

C13H16N6O2 — CID 112524647

IUPAC2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)Nc2ccn[nH]2)ccn1
InChIInChI=1S/C13H16N6O2/c1-19(2)13(21)15-8-10-7-9(3-5-14-10)12(20)17-11-4-6-16-18-11/h3-7H,8H2,1-2H3,(H,15,21)(H2,16,17,18,20)
InChIKeyTUUIKHABNOYGLV-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.83
Rot. Bonds4

About 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide

2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide (PubChem CID 112524647) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
PubChem CID112524647
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)Nc2ccn[nH]2)ccn1
InChIInChI=1S/C13H16N6O2/c1-19(2)13(21)15-8-10-7-9(3-5-14-10)12(20)17-11-4-6-16-18-11/h3-7H,8H2,1-2H3,(H,15,21)(H2,16,17,18,20)
InChIKeyTUUIKHABNOYGLV-UHFFFAOYSA-N
XLogP0.83
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide (CID 112524647) is 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide is CN(C)C(=O)NCc1cc(C(=O)Nc2ccn[nH]2)ccn1.
What is the InChIKey of 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
The InChIKey is TUUIKHABNOYGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-19(2)13(21)15-8-10-7-9(3-5-14-10)12(20)17-11-4-6-16-18-11/h3-7H,8H2,1-2H3,(H,15,21)(H2,16,17,18,20).
What are the key properties of 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide?
2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112524647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).