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

C18H21N3O2 — CID 41303356

IUPAC4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-23-16-8-5-14(6-9-16)18(22)20-15-7-10-17(19-13-15)21-11-3-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,20,22)
InChIKeyKJBNENDQOJIFMK-UHFFFAOYSA-N
MW311.39 g/mol
LogP3.33
Rot. Bonds5

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

4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (PubChem CID 41303356) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.

Molecular Properties

Compound Name4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
PubChem CID41303356
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
SMILESCCOc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1
InChIInChI=1S/C18H21N3O2/c1-2-23-16-8-5-14(6-9-16)18(22)20-15-7-10-17(19-13-15)21-11-3-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,20,22)
InChIKeyKJBNENDQOJIFMK-UHFFFAOYSA-N
XLogP3.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
N-[6-(azepan-1-yl)-3-pyridinyl]-4-fluorobenzamide
CID 113015884
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 43704451
4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25432356
N-(4-ethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098839
ethyl 4-[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014232
3-chloro-4-ethoxy-5-methoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 25417186
ethyl N-(6-piperidin-1-yl-3-pyridinyl)carbamate
CID 60715583
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
N-(6-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 54787908
N-(4-ethoxyphenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044668

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The IUPAC name of 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide (CID 41303356) is 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide.
What is the SMILES notation for 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The canonical SMILES for 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1.
What is the InChIKey of 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
The InChIKey is KJBNENDQOJIFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-23-16-8-5-14(6-9-16)18(22)20-15-7-10-17(19-13-15)21-11-3-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,20,22).
What are the key properties of 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide?
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide has a molecular weight of 311.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide is sourced from PubChem (CID 41303356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).