N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide

C22H20ClN3O5 — CID 1449601

IUPACN-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)nc2)cc(OC)c1OC
InChIInChI=1S/C22H20ClN3O5/c1-29-17-10-13(11-18(30-2)20(17)31-3)21(27)25-14-8-9-19(24-12-14)26-22(28)15-6-4-5-7-16(15)23/h4-12H,1-3H3,(H,25,27)(H,24,26,28)
InChIKeyJTCYRUWWDBRZHI-UHFFFAOYSA-N
MW441.87 g/mol
LogP4.27
Rot. Bonds7

About N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide

N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (PubChem CID 1449601) has the molecular formula C22H20ClN3O5 and a molecular weight of 441.87 g/mol. Its IUPAC name is N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
PubChem CID1449601
Molecular FormulaC22H20ClN3O5
Molecular Weight441.87 g/mol
Exact Mass441.11
IUPAC NameN-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)nc2)cc(OC)c1OC
InChIInChI=1S/C22H20ClN3O5/c1-29-17-10-13(11-18(30-2)20(17)31-3)21(27)25-14-8-9-19(24-12-14)26-22(28)15-6-4-5-7-16(15)23/h4-12H,1-3H3,(H,25,27)(H,24,26,28)
InChIKeyJTCYRUWWDBRZHI-UHFFFAOYSA-N
XLogP4.27
TPSA98.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.87
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (CID 1449601) is N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)nc2)cc(OC)c1OC.
What is the InChIKey of N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The InChIKey is JTCYRUWWDBRZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5/c1-29-17-10-13(11-18(30-2)20(17)31-3)21(27)25-14-8-9-19(24-12-14)26-22(28)15-6-4-5-7-16(15)23/h4-12H,1-3H3,(H,25,27)(H,24,26,28).
What are the key properties of N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide has a molecular weight of 441.87 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1449601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).