N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide

C27H29N5O3 — CID 135469605

IUPACN-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3ccccc3O)nc(N)c2C#N)cc1OCCN1CCCCC1
InChIInChI=1S/C27H29N5O3/c1-18(33)30-23-10-9-19(15-26(23)35-14-13-32-11-5-2-6-12-32)21-16-24(31-27(29)22(21)17-28)20-7-3-4-8-25(20)34/h3-4,7-10,15-16,34H,2,5-6,11-14H2,1H3,(H2,29,31)(H,30,33)
InChIKeyDIQBBLHLWRAVRT-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.40
Rot. Bonds7

About N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide

N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide (PubChem CID 135469605) has the molecular formula C27H29N5O3 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
PubChem CID135469605
Molecular FormulaC27H29N5O3
Molecular Weight471.56 g/mol
Exact Mass471.23
IUPAC NameN-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2cc(-c3ccccc3O)nc(N)c2C#N)cc1OCCN1CCCCC1
InChIInChI=1S/C27H29N5O3/c1-18(33)30-23-10-9-19(15-26(23)35-14-13-32-11-5-2-6-12-32)21-16-24(31-27(29)22(21)17-28)20-7-3-4-8-25(20)34/h3-4,7-10,15-16,34H,2,5-6,11-14H2,1H3,(H2,29,31)(H,30,33)
InChIKeyDIQBBLHLWRAVRT-UHFFFAOYSA-N
XLogP4.40
TPSA124.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The IUPAC name of N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide (CID 135469605) is N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide.
What is the SMILES notation for N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The canonical SMILES for N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide is CC(=O)Nc1ccc(-c2cc(-c3ccccc3O)nc(N)c2C#N)cc1OCCN1CCCCC1.
What is the InChIKey of N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
The InChIKey is DIQBBLHLWRAVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N5O3/c1-18(33)30-23-10-9-19(15-26(23)35-14-13-32-11-5-2-6-12-32)21-16-24(31-27(29)22(21)17-28)20-7-3-4-8-25(20)34/h3-4,7-10,15-16,34H,2,5-6,11-14H2,1H3,(H2,29,31)(H,30,33).
What are the key properties of N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide?
N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide has a molecular weight of 471.56 g/mol, XLogP of 4.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-(2-piperidin-1-ylethoxy)phenyl]acetamide is sourced from PubChem (CID 135469605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).