N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide

C24H22ClN5O2 — CID 135530508

IUPACN-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide
SMILESN#Cc1c(-c2ccc(Cl)c(NC(=O)CNCC3CC3)c2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C24H22ClN5O2/c25-19-8-7-15(9-21(19)29-23(32)13-28-12-14-5-6-14)17-10-20(30-24(27)18(17)11-26)16-3-1-2-4-22(16)31/h1-4,7-10,14,28,31H,5-6,12-13H2,(H2,27,30)(H,29,32)
InChIKeyQYYGXOCFELVLKV-UHFFFAOYSA-N
MW447.93 g/mol
LogP4.17
Rot. Bonds7

About N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide

N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 135530508) has the molecular formula C24H22ClN5O2 and a molecular weight of 447.93 g/mol. Its IUPAC name is N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID135530508
Molecular FormulaC24H22ClN5O2
Molecular Weight447.93 g/mol
Exact Mass447.15
IUPAC NameN-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide
SMILESN#Cc1c(-c2ccc(Cl)c(NC(=O)CNCC3CC3)c2)cc(-c2ccccc2O)nc1N
InChIInChI=1S/C24H22ClN5O2/c25-19-8-7-15(9-21(19)29-23(32)13-28-12-14-5-6-14)17-10-20(30-24(27)18(17)11-26)16-3-1-2-4-22(16)31/h1-4,7-10,14,28,31H,5-6,12-13H2,(H2,27,30)(H,29,32)
InChIKeyQYYGXOCFELVLKV-UHFFFAOYSA-N
XLogP4.17
TPSA124.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.93
LogP ≤ 54.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide (CID 135530508) is N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide is N#Cc1c(-c2ccc(Cl)c(NC(=O)CNCC3CC3)c2)cc(-c2ccccc2O)nc1N.
What is the InChIKey of N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is QYYGXOCFELVLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O2/c25-19-8-7-15(9-21(19)29-23(32)13-28-12-14-5-6-14)17-10-20(30-24(27)18(17)11-26)16-3-1-2-4-22(16)31/h1-4,7-10,14,28,31H,5-6,12-13H2,(H2,27,30)(H,29,32).
What are the key properties of N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide?
N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 447.93 g/mol, XLogP of 4.17, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-3-cyano-6-(2-hydroxyphenyl)-4-pyridinyl]-2-chlorophenyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 135530508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).