N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide

C15H15ClN2O4 — CID 3984738

IUPACN-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccnc2Cl)cc(OC)c1OC
InChIInChI=1S/C15H15ClN2O4/c1-20-11-7-9(8-12(21-2)13(11)22-3)15(19)18-10-5-4-6-17-14(10)16/h4-8H,1-3H3,(H,18,19)
InChIKeyFMMFWHIXSZDJBQ-UHFFFAOYSA-N
MW322.75 g/mol
LogP3.01
Rot. Bonds5

About N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide

N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide (PubChem CID 3984738) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
PubChem CID3984738
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC NameN-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide
SMILESCOc1cc(C(=O)Nc2cccnc2Cl)cc(OC)c1OC
InChIInChI=1S/C15H15ClN2O4/c1-20-11-7-9(8-12(21-2)13(11)22-3)15(19)18-10-5-4-6-17-14(10)16/h4-8H,1-3H3,(H,18,19)
InChIKeyFMMFWHIXSZDJBQ-UHFFFAOYSA-N
XLogP3.01
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4,5-dimethoxy-N-quinolin-5-ylbenzamide
CID 17396837
4-chloro-N-(2-chloro-3-pyridinyl)-2-methoxybenzamide
CID 103721934
3-chloro-N-(2-chloro-3-pyridinyl)-5-methylbenzamide
CID 103773111
N-(2-chloro-3-pyridinyl)-2-fluoro-6-methoxybenzamide
CID 113265347
2-amino-N-(2-chloro-3-pyridinyl)-6-methoxybenzamide
CID 81421056
N-(2-chloro-3-pyridinyl)-3,4,5-trifluorobenzamide
CID 63188572
4-chloro-N-(5,6-dimethoxyquinolin-8-yl)benzamide
CID 14791088
N-[2-[(2-amino-3-pyridinyl)oxymethyl]phenyl]-3,4,5-trimethoxybenzamide
CID 143408158
3,4,5-trimethoxy-N-[2-[[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]disulfanyl]phenyl]benzamide
CID 4001036
3,4,5-trimethoxy-N-[2-[(2-methoxyphenyl)carbamoyl]phenyl]benzamide
CID 990875
N-(5-chloro-2-hydroxyphenyl)-3,4,5-trimethoxybenzamide
CID 835945
N-[2-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 157076630

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide (CID 3984738) is N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide is COc1cc(C(=O)Nc2cccnc2Cl)cc(OC)c1OC.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide?
The InChIKey is FMMFWHIXSZDJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c1-20-11-7-9(8-12(21-2)13(11)22-3)15(19)18-10-5-4-6-17-14(10)16/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide?
N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide has a molecular weight of 322.75 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 3984738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).