2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide

C17H20N4O2 — CID 112520469

IUPAC2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C17H20N4O2/c1-12-6-4-5-7-15(12)20-16(22)13-8-9-18-14(10-13)11-19-17(23)21(2)3/h4-10H,11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyOUEBEHSOZQLPOH-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.41
Rot. Bonds4

About 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide

2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide (PubChem CID 112520469) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
PubChem CID112520469
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide
SMILESCc1ccccc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1
InChIInChI=1S/C17H20N4O2/c1-12-6-4-5-7-15(12)20-16(22)13-8-9-18-14(10-13)11-19-17(23)21(2)3/h4-10H,11H2,1-3H3,(H,19,23)(H,20,22)
InChIKeyOUEBEHSOZQLPOH-UHFFFAOYSA-N
XLogP2.41
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(dimethylcarbamoylamino)methyl]-N-(2-ethoxyphenyl)pyridine-4-carboxamide
CID 112522687
2-[(dimethylcarbamoylamino)methyl]-N-(5-methyl-1H-pyrazol-4-yl)pyridine-4-carboxamide
CID 112521754
2-[(dimethylcarbamoylamino)methyl]-N-(1H-pyrazol-5-yl)pyridine-4-carboxamide
CID 112524647
N-[2-(dimethylamino)ethyl]-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112520177
2-(acetamidomethyl)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 112520426
2-N-[3-(dimethylamino)propyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109084055
N-(1,3-benzothiazol-5-yl)-2-[(dimethylcarbamoylamino)methyl]pyridine-4-carboxamide
CID 112525731
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330
methyl N-[[4-[(2,5-dimethylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112520824
ethyl N-[[4-[(2-fluorophenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521296
2-[(dimethylcarbamoylamino)methyl]-N-[(4-methylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 112522300
2-[(dimethylcarbamoylamino)methyl]-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 112529514

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide (CID 112520469) is 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide is Cc1ccccc1NC(=O)c1ccnc(CNC(=O)N(C)C)c1.
What is the InChIKey of 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide?
The InChIKey is OUEBEHSOZQLPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-12-6-4-5-7-15(12)20-16(22)13-8-9-18-14(10-13)11-19-17(23)21(2)3/h4-10H,11H2,1-3H3,(H,19,23)(H,20,22).
What are the key properties of 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide?
2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylcarbamoylamino)methyl]-N-(2-methylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 112520469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).