N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide

C23H17N5O4 — CID 118716802

IUPACN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(-c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)
InChIKeyUKKCHLWQDVEFEM-UHFFFAOYSA-N
MW427.42 g/mol
LogP2.63
Rot. Bonds5

About N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide

N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 118716802) has the molecular formula C23H17N5O4 and a molecular weight of 427.42 g/mol. Its IUPAC name is N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID118716802
Molecular FormulaC23H17N5O4
Molecular Weight427.42 g/mol
Exact Mass427.13
IUPAC NameN-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(-c2c[nH]c(=O)[nH]c2=O)c1
InChIInChI=1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32)
InChIKeyUKKCHLWQDVEFEM-UHFFFAOYSA-N
XLogP2.63
TPSA136.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)-5-methoxybenzoyl]amino]phenyl]pyridine-2-carboxamide
CID 78673835
N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
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[3-[[4-(pyridine-2-carbonylamino)phenyl]carbamoyl]phenyl] acetate
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N-(4-chlorophenyl)-3-(1-pyridin-2-ylethenyl)benzamide
CID 66870112
N-(4-benzoylphenyl)pyridine-2-carboxamide
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4-(pyridine-2-carbonylamino)benzoic acid
CID 16770258
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
2-[3-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 21238494
N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]pyridine-2-carboxamide
CID 108748434
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
1-N,3-N,5-N-tris[4-(4-phenyl-2-pyridinyl)phenyl]benzene-1,3,5-tricarboxamide
CID 126639013
N-(4-acetamidophenyl)-3-phenylbenzamide
CID 117092873

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide (CID 118716802) is N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc(NC(=O)c2ccccn2)cc1)c1cccc(-c2c[nH]c(=O)[nH]c2=O)c1.
What is the InChIKey of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is UKKCHLWQDVEFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O4/c29-20(15-5-3-4-14(12-15)18-13-25-23(32)28-21(18)30)26-16-7-9-17(10-8-16)27-22(31)19-6-1-2-11-24-19/h1-13H,(H,26,29)(H,27,31)(H2,25,28,30,32).
What are the key properties of N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 427.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(2,4-dioxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118716802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).