5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide

C20H20N4O2 — CID 122531750

IUPAC5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCCc1c(-c2ccc(C(=O)NC)nc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyUCYSSYGGXOFJKK-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.02
Rot. Bonds4

About 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide

5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide (PubChem CID 122531750) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide
PubChem CID122531750
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide
SMILESCCc1c(-c2ccc(C(=O)NC)nc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyUCYSSYGGXOFJKK-UHFFFAOYSA-N
XLogP3.02
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide (CID 122531750) is 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide is CCc1c(-c2ccc(C(=O)NC)nc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide?
The InChIKey is UCYSSYGGXOFJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-15-16(13-6-9-17(23-10-13)20(26)22-2)11-24-19(21)18(15)12-4-7-14(25)8-5-12/h4-11,25H,3H2,1-2H3,(H2,21,24)(H,22,26).
What are the key properties of 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide?
5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 122531750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).