4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

C19H23N3O3 — CID 109206845

IUPAC4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-24-16-7-5-14(6-8-16)22-15-9-10-20-18(12-15)19(23)21-13-17-4-3-11-25-17/h5-10,12,17H,2-4,11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyYUBLVQCHJICLHX-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.13
Rot. Bonds7

About 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide

4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109206845) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109206845
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
SMILESCCOc1ccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)cc1
InChIInChI=1S/C19H23N3O3/c1-2-24-16-7-5-14(6-8-16)22-15-9-10-20-18(12-15)19(23)21-13-17-4-3-11-25-17/h5-10,12,17H,2-4,11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyYUBLVQCHJICLHX-UHFFFAOYSA-N
XLogP3.13
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-4-(4-phenoxyanilino)pyridine-2-carboxamide
CID 109206872
4-(3-chloro-4-methylanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206834
4-(ethylamino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 62173174
4-(3-bromoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206875
4-(3-cyanoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206901
4-ethoxy-N-(oxolan-2-ylmethyl)benzamide
CID 2850672
4-methyl-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 110849466
4-N-[2-(4-methoxyphenoxy)ethyl]-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083297
4-N,4-N-diethyl-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083295
4-N-(4-methylphenyl)-2-N-(oxolan-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109083312
2-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)acetamide
CID 54811659
N-(oxolan-2-ylmethyl)-2-(4-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 109300990

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide (CID 109206845) is 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is CCOc1ccc(Nc2ccnc(C(=O)NCC3CCCO3)c2)cc1.
What is the InChIKey of 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YUBLVQCHJICLHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-2-24-16-7-5-14(6-8-16)22-15-9-10-20-18(12-15)19(23)21-13-17-4-3-11-25-17/h5-10,12,17H,2-4,11,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide?
4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109206845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).