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

C24H19N5O4 — CID 118716807

IUPACN-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2cnc(=O)[nH]c2)c1
InChIInChI=1S/C24H19N5O4/c1-33-20-11-15(17-13-26-24(32)27-14-17)10-16(12-20)22(30)28-18-5-7-19(8-6-18)29-23(31)21-4-2-3-9-25-21/h2-14H,1H3,(H,28,30)(H,29,31)(H,26,27,32)
InChIKeyPPCTVSXAPSLUNU-UHFFFAOYSA-N
MW441.45 g/mol
LogP3.35
Rot. Bonds6

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

N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 118716807) has the molecular formula C24H19N5O4 and a molecular weight of 441.45 g/mol. Its IUPAC name is N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
PubChem CID118716807
Molecular FormulaC24H19N5O4
Molecular Weight441.45 g/mol
Exact Mass441.14
IUPAC NameN-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2cnc(=O)[nH]c2)c1
InChIInChI=1S/C24H19N5O4/c1-33-20-11-15(17-13-26-24(32)27-14-17)10-16(12-20)22(30)28-18-5-7-19(8-6-18)29-23(31)21-4-2-3-9-25-21/h2-14H,1H3,(H,28,30)(H,29,31)(H,26,27,32)
InChIKeyPPCTVSXAPSLUNU-UHFFFAOYSA-N
XLogP3.35
TPSA126.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.45
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide (CID 118716807) is N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccn3)cc2)cc(-c2cnc(=O)[nH]c2)c1.
What is the InChIKey of N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
The InChIKey is PPCTVSXAPSLUNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O4/c1-33-20-11-15(17-13-26-24(32)27-14-17)10-16(12-20)22(30)28-18-5-7-19(8-6-18)29-23(31)21-4-2-3-9-25-21/h2-14H,1H3,(H,28,30)(H,29,31)(H,26,27,32).
What are the key properties of N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide?
N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 441.45 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-methoxy-5-(2-oxo-1H-pyrimidin-5-yl)benzoyl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118716807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).