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

C14H18N6O2 — CID 112521754

IUPAC2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1[nH]ncc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C14H18N6O2/c1-9-12(8-17-19-9)18-13(21)10-4-5-15-11(6-10)7-16-14(22)20(2)3/h4-6,8H,7H2,1-3H3,(H,16,22)(H,17,19)(H,18,21)
InChIKeyXIZRLQBXXYOZHW-UHFFFAOYSA-N
MW302.34 g/mol
LogP1.14
Rot. Bonds4

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

2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 112521754) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
PubChem CID112521754
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1[nH]ncc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C14H18N6O2/c1-9-12(8-17-19-9)18-13(21)10-4-5-15-11(6-10)7-16-14(22)20(2)3/h4-6,8H,7H2,1-3H3,(H,16,22)(H,17,19)(H,18,21)
InChIKeyXIZRLQBXXYOZHW-UHFFFAOYSA-N
XLogP1.14
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 51.14
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-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide (CID 112521754) is 2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide is Cc1[nH]ncc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1.
What is the InChIKey of 2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is XIZRLQBXXYOZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O2/c1-9-12(8-17-19-9)18-13(21)10-4-5-15-11(6-10)7-16-14(22)20(2)3/h4-6,8H,7H2,1-3H3,(H,16,22)(H,17,19)(H,18,21).
What are the key properties of 2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide?
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 302.34 g/mol, XLogP of 1.14, 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-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112521754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).