N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide

C9H11FN4O2 — CID 144801403

IUPACN-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NF)cn1
InChIInChI=1S/C9H11FN4O2/c1-6-2-3-7(4-11-6)13-9(16)12-5-8(15)14-10/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyYIMFTWDBWGPQAB-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.51
Rot. Bonds3

About N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide

N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide (PubChem CID 144801403) has the molecular formula C9H11FN4O2 and a molecular weight of 226.21 g/mol. Its IUPAC name is N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide
PubChem CID144801403
Molecular FormulaC9H11FN4O2
Molecular Weight226.21 g/mol
Exact Mass226.09
IUPAC NameN-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide
SMILESCc1ccc(NC(=O)NCC(=O)NF)cn1
InChIInChI=1S/C9H11FN4O2/c1-6-2-3-7(4-11-6)13-9(16)12-5-8(15)14-10/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16)
InChIKeyYIMFTWDBWGPQAB-UHFFFAOYSA-N
XLogP0.51
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(6-methyl-3-pyridinyl)urea
CID 102308841
(2S)-2-hydroxy-3-[(6-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107840624
1-[2-(2-fluorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108900164
1-[2-(4-chlorophenyl)ethyl]-3-(6-methyl-3-pyridinyl)urea
CID 108892033
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
4-methyl-5-[(6-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 82015110
2-[(6-methyl-3-pyridinyl)amino]acetic acid
CID 20805778
N-(6-methyl-3-pyridinyl)-2-pyridin-4-ylacetamide
CID 112532425
1-(6-methyl-3-pyridinyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887535
2-(2-fluorophenyl)-N-(6-methyl-3-pyridinyl)acetamide
CID 112532440
2-(6-methyl-3-pyridinyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]acetamide
CID 87039150
N-tert-butyl-2-[(6-methoxy-3-pyridinyl)carbamoylamino]acetamide
CID 47139507

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide?
The IUPAC name of N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide (CID 144801403) is N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide.
What is the SMILES notation for N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide?
The canonical SMILES for N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide is Cc1ccc(NC(=O)NCC(=O)NF)cn1.
What is the InChIKey of N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide?
The InChIKey is YIMFTWDBWGPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O2/c1-6-2-3-7(4-11-6)13-9(16)12-5-8(15)14-10/h2-4H,5H2,1H3,(H,14,15)(H2,12,13,16).
What are the key properties of N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide?
N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide has a molecular weight of 226.21 g/mol, XLogP of 0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-[(6-methyl-3-pyridinyl)carbamoylamino]acetamide is sourced from PubChem (CID 144801403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).