N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide

C16H19N3O2 — CID 105067886

IUPACN-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C16H19N3O2/c1-3-18-15-11-17-10-9-14(15)16(20)19-12-5-7-13(8-6-12)21-4-2/h5-11,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyHOPLRDBCEVPFNK-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.16
Rot. Bonds6

About N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide

N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide (PubChem CID 105067886) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide
PubChem CID105067886
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide
SMILESCCNc1cnccc1C(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C16H19N3O2/c1-3-18-15-11-17-10-9-14(15)16(20)19-12-5-7-13(8-6-12)21-4-2/h5-11,18H,3-4H2,1-2H3,(H,19,20)
InChIKeyHOPLRDBCEVPFNK-UHFFFAOYSA-N
XLogP3.16
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide (CID 105067886) is N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide is CCNc1cnccc1C(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide?
The InChIKey is HOPLRDBCEVPFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-18-15-11-17-10-9-14(15)16(20)19-12-5-7-13(8-6-12)21-4-2/h5-11,18H,3-4H2,1-2H3,(H,19,20).
What are the key properties of N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide?
N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(ethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 105067886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).