2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide

C17H17N5O4 — CID 112522991

IUPAC2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)ccn1
InChIInChI=1S/C17H17N5O4/c1-22(2)16(24)19-9-12-7-10(5-6-18-12)15(23)20-11-3-4-13-14(8-11)26-17(25)21-13/h3-8H,9H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyZFSFVTQIAJOSBH-UHFFFAOYSA-N
MW355.35 g/mol
LogP1.54
Rot. Bonds4

About 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide

2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide (PubChem CID 112522991) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide
PubChem CID112522991
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide
SMILESCN(C)C(=O)NCc1cc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)ccn1
InChIInChI=1S/C17H17N5O4/c1-22(2)16(24)19-9-12-7-10(5-6-18-12)15(23)20-11-3-4-13-14(8-11)26-17(25)21-13/h3-8H,9H2,1-2H3,(H,19,24)(H,20,23)(H,21,25)
InChIKeyZFSFVTQIAJOSBH-UHFFFAOYSA-N
XLogP1.54
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112525731
2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 112524647
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
CID 112520469
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 112521754
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-3H-benzimidazole-5-carboxamide
CID 110662054
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
4-bromo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)benzamide
CID 50797084
2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
N-(2-oxo-3H-1,3-benzoxazol-6-yl)-1H-indole-5-carboxamide
CID 112523027
2-oxo-N-pyrimidin-2-yl-3H-1,3-benzoxazole-6-carboxamide
CID 110766430
N-(4-methoxyphenyl)-2-oxo-3H-1,3-benzoxazole-6-carboxamide
CID 110766402
2-hydroxy-N-(2-oxo-3H-1,3-benzoxazol-6-yl)acetamide
CID 83820376

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide?
The IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide (CID 112522991) is 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide is CN(C)C(=O)NCc1cc(C(=O)Nc2ccc3[nH]c(=O)oc3c2)ccn1.
What is the InChIKey of 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide?
The InChIKey is ZFSFVTQIAJOSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c1-22(2)16(24)19-9-12-7-10(5-6-18-12)15(23)20-11-3-4-13-14(8-11)26-17(25)21-13/h3-8H,9H2,1-2H3,(H,19,24)(H,20,23)(H,21,25).
What are the key properties of 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide?
2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylcarbamoylamino)methyl]-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 112522991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).