N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide

C29H26N4O7 — CID 122187958

IUPACN-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C29H26N4O7/c1-38-23-15-19(16-24(39-2)26(23)40-3)29(37)32-22-14-18(27(30)35)9-12-21(22)31-28(36)17-7-10-20(11-8-17)33-13-5-4-6-25(33)34/h4-16H,1-3H3,(H2,30,35)(H,31,36)(H,32,37)
InChIKeyXFVKIKGQWBDVRC-UHFFFAOYSA-N
MW542.55 g/mol
LogP3.47
Rot. Bonds9

About N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide

N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide (PubChem CID 122187958) has the molecular formula C29H26N4O7 and a molecular weight of 542.55 g/mol. Its IUPAC name is N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide
PubChem CID122187958
Molecular FormulaC29H26N4O7
Molecular Weight542.55 g/mol
Exact Mass542.18
IUPAC NameN-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc(OC)c1OC
InChIInChI=1S/C29H26N4O7/c1-38-23-15-19(16-24(39-2)26(23)40-3)29(37)32-22-14-18(27(30)35)9-12-21(22)31-28(36)17-7-10-20(11-8-17)33-13-5-4-6-25(33)34/h4-16H,1-3H3,(H2,30,35)(H,31,36)(H,32,37)
InChIKeyXFVKIKGQWBDVRC-UHFFFAOYSA-N
XLogP3.47
TPSA150.98 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500542.55
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide (CID 122187958) is N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cc(C(N)=O)ccc2NC(=O)c2ccc(-n3ccccc3=O)cc2)cc(OC)c1OC.
What is the InChIKey of N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide?
The InChIKey is XFVKIKGQWBDVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O7/c1-38-23-15-19(16-24(39-2)26(23)40-3)29(37)32-22-14-18(27(30)35)9-12-21(22)31-28(36)17-7-10-20(11-8-17)33-13-5-4-6-25(33)34/h4-16H,1-3H3,(H2,30,35)(H,31,36)(H,32,37).
What are the key properties of N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide?
N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide has a molecular weight of 542.55 g/mol, XLogP of 3.47, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-carbamoyl-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]phenyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 122187958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).