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

C22H20ClN3O5 — CID 1449605

IUPACN-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H20ClN3O5/c1-29-17-10-14(11-18(30-2)20(17)31-3)22(28)25-16-7-8-19(24-12-16)26-21(27)13-5-4-6-15(23)9-13/h4-12H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyAVTUXRNTOYEFIB-UHFFFAOYSA-N
MW441.87 g/mol
LogP4.27
Rot. Bonds7

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

N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (PubChem CID 1449605) has the molecular formula C22H20ClN3O5 and a molecular weight of 441.87 g/mol. Its IUPAC name is N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
PubChem CID1449605
Molecular FormulaC22H20ClN3O5
Molecular Weight441.87 g/mol
Exact Mass441.11
IUPAC NameN-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc(OC)c1OC
InChIInChI=1S/C22H20ClN3O5/c1-29-17-10-14(11-18(30-2)20(17)31-3)22(28)25-16-7-8-19(24-12-16)26-21(27)13-5-4-6-15(23)9-13/h4-12H,1-3H3,(H,25,28)(H,24,26,27)
InChIKeyAVTUXRNTOYEFIB-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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Related Compounds

Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
CID 28761
3,4,5-trimethoxy-N-3-pyridylbenzamide
CID 678080
4-(propan-2-yloxy)-N-(pyridin-2-yl)-N-(3,4,5-trimethoxybenzyl)benzamide
CID 16015944
N-(2-chloropyridin-3-yl)-3,4-dimethoxybenzamide
CID 836058
3,4,5-Trimethoxy-N-[2-[(2-pyridinylamino)carbonyl]phenyl]benzamide
CID 990988
4-Methoxy-N-(5-phenylacetylamino-pyridin-2-yl)-benzamide
CID 1452908
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
Benzamide,n-(3-chloro-2-pyridinyl)-3-(cyclopentyloxy)-4-methoxy-
CID 10089015
N-[1-[(Z)-[[(2-chloro-3-pyridinyl)amino]-(cyanoamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 11259677
[5-(4-Chlorophenyl)-1H-imidazol-2-yl](3,4,5-trimethoxyphenyl)methanone
CID 71625641
3,4,5-triethoxy-N-pyridin-3-ylbenzamide
CID 780282

Frequently Asked Questions

What is the IUPAC name of N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide (CID 1449605) is N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)nc2)cc(OC)c1OC.
What is the InChIKey of N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
The InChIKey is AVTUXRNTOYEFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O5/c1-29-17-10-14(11-18(30-2)20(17)31-3)22(28)25-16-7-8-19(24-12-16)26-21(27)13-5-4-6-15(23)9-13/h4-12H,1-3H3,(H,25,28)(H,24,26,27).
What are the key properties of N-[6-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide?
N-[6-[(3-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-[(3-chlorobenzoyl)amino]-3-pyridinyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 1449605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).