N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide

C14H13FN4O2 — CID 104741465

IUPACN-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ncccc2N)ccc1F
InChIInChI=1S/C14H13FN4O2/c1-8(20)18-12-7-9(4-5-10(12)15)19-14(21)13-11(16)3-2-6-17-13/h2-7H,16H2,1H3,(H,18,20)(H,19,21)
InChIKeyOGANKOKATAOMGM-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.01
Rot. Bonds3

About N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide

N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide (PubChem CID 104741465) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
PubChem CID104741465
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC NameN-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)c2ncccc2N)ccc1F
InChIInChI=1S/C14H13FN4O2/c1-8(20)18-12-7-9(4-5-10(12)15)19-14(21)13-11(16)3-2-6-17-13/h2-7H,16H2,1H3,(H,18,20)(H,19,21)
InChIKeyOGANKOKATAOMGM-UHFFFAOYSA-N
XLogP2.01
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-fluorophenyl)-2-fluoropyridine-3-carboxamide
CID 107358587
3-[(3-aminopyridine-2-carbonyl)amino]-4-fluorobenzoic acid
CID 104741384
3-amino-N-(5-carbamoyl-2-fluorophenyl)pyridine-2-carboxamide
CID 104741270
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
3-amino-N-(3-fluoro-4-pyridinyl)pyridine-2-carboxamide
CID 107594913
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741490
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
3-amino-N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]pyrazine-2-carboxamide
CID 167986166
N-(3-acetamido-4-fluorophenyl)-6-fluoropyridine-3-carboxamide
CID 63971441
3-amino-N-(4-chloro-2-iodophenyl)pyridine-2-carboxamide
CID 107625379

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide (CID 104741465) is N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide is CC(=O)Nc1cc(NC(=O)c2ncccc2N)ccc1F.
What is the InChIKey of N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide?
The InChIKey is OGANKOKATAOMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-8(20)18-12-7-9(4-5-10(12)15)19-14(21)13-11(16)3-2-6-17-13/h2-7H,16H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide?
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide has a molecular weight of 288.28 g/mol, XLogP of 2.01, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide is sourced from PubChem (CID 104741465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).