3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

C19H22ClN3O3 — CID 25417186

IUPAC3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OC
InChIInChI=1S/C19H22ClN3O3/c1-3-26-18-15(20)10-13(11-16(18)25-2)19(24)22-14-6-7-17(21-12-14)23-8-4-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyIZKVPBKHSXHOMA-UHFFFAOYSA-N
MW375.86 g/mol
LogP3.99
Rot. Bonds6

About 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide

3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 25417186) has the molecular formula C19H22ClN3O3 and a molecular weight of 375.86 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID25417186
Molecular FormulaC19H22ClN3O3
Molecular Weight375.86 g/mol
Exact Mass375.13
IUPAC Name3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OC
InChIInChI=1S/C19H22ClN3O3/c1-3-26-18-15(20)10-13(11-16(18)25-2)19(24)22-14-6-7-17(21-12-14)23-8-4-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,24)
InChIKeyIZKVPBKHSXHOMA-UHFFFAOYSA-N
XLogP3.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-ethoxy-4-propoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 55483903
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
3,4-dimethoxy-N-(6-piperidin-1-yl-3-pyridinyl)-5-[(E)-prop-1-enyl]benzamide
CID 16606497
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-[4-(carbamoylamino)phenyl]-3-chloro-4-ethoxy-5-methoxybenzamide
CID 33150673
N-(6-piperidin-1-yl-3-pyridinyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17446568
(3-chloro-4-ethoxy-5-methoxyphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methanone
CID 46628505
3-chloro-4-ethoxy-5-methoxy-N-naphthalen-2-ylbenzamide
CID 3306078
3-chloro-N-(2,3-dihydro-1-benzofuran-5-yl)-4-ethoxy-5-methoxybenzamide
CID 38557928
3,5-dichloro-4-methoxy-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55735028
3-chloro-N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-4-ethoxy-5-methoxybenzamide
CID 51334534

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 25417186) is 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is CCOc1c(Cl)cc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1OC.
What is the InChIKey of 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is IZKVPBKHSXHOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O3/c1-3-26-18-15(20)10-13(11-16(18)25-2)19(24)22-14-6-7-17(21-12-14)23-8-4-5-9-23/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 375.86 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 25417186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).