2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

C16H17FN4O2 — CID 75523323

IUPAC2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN4O2/c1-10-7-11(2)19-14(8-10)21-16(23)18-9-15(22)20-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKeyBIPBMBIVGLDIII-UHFFFAOYSA-N
MW316.34 g/mol
LogP2.60
Rot. Bonds4

About 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide

2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 75523323) has the molecular formula C16H17FN4O2 and a molecular weight of 316.34 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
PubChem CID75523323
Molecular FormulaC16H17FN4O2
Molecular Weight316.34 g/mol
Exact Mass316.13
IUPAC Name2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
SMILESCc1cc(C)nc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1
InChIInChI=1S/C16H17FN4O2/c1-10-7-11(2)19-14(8-10)21-16(23)18-9-15(22)20-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H,20,22)(H2,18,19,21,23)
InChIKeyBIPBMBIVGLDIII-UHFFFAOYSA-N
XLogP2.60
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(6-Amino-2,4-dimethyl-pyridin-3-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
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N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-2-oxo-3-(2-pyridin-2-yl-ethylamino)-2H-pyrazin-1-yl]-acetamide
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N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(3-(2,2-difluoro-2-phenylethylamino)-6-methyl-2-oxopyrazin-1(2H)-yl)acetamide
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N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-6-methyl-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11812296
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-6-methyl-2,8-dioxo-3-propyl-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042267
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-benzyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042269
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266873

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide (CID 75523323) is 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is Cc1cc(C)nc(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1.
What is the InChIKey of 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is BIPBMBIVGLDIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O2/c1-10-7-11(2)19-14(8-10)21-16(23)18-9-15(22)20-13-5-3-12(17)4-6-13/h3-8H,9H2,1-2H3,(H,20,22)(H2,18,19,21,23).
What are the key properties of 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide?
2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 316.34 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-pyridinyl)carbamoylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 75523323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).