N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide

C24H27N5O2S — CID 175637697

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc(-c3cncs3)cc2)cnc1N
InChIInChI=1S/C24H27N5O2S/c1-15-8-9-24(3,18-6-4-17(5-7-18)20-12-26-14-32-20)29(13-15)23(31)22(30)28-19-10-16(2)21(25)27-11-19/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H2,25,27)(H,28,30)/t15-,24-/m0/s1
InChIKeyNEUVJRPUKWNAOL-OWJWWREXSA-N
MW449.58 g/mol
LogP4.21
Rot. Bonds3

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide (PubChem CID 175637697) has the molecular formula C24H27N5O2S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
PubChem CID175637697
Molecular FormulaC24H27N5O2S
Molecular Weight449.58 g/mol
Exact Mass449.19
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc(-c3cncs3)cc2)cnc1N
InChIInChI=1S/C24H27N5O2S/c1-15-8-9-24(3,18-6-4-17(5-7-18)20-12-26-14-32-20)29(13-15)23(31)22(30)28-19-10-16(2)21(25)27-11-19/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H2,25,27)(H,28,30)/t15-,24-/m0/s1
InChIKeyNEUVJRPUKWNAOL-OWJWWREXSA-N
XLogP4.21
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide (CID 175637697) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@@H](C)CC[C@@]2(C)c2ccc(-c3cncs3)cc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
The InChIKey is NEUVJRPUKWNAOL-OWJWWREXSA-N. The full InChI is InChI=1S/C24H27N5O2S/c1-15-8-9-24(3,18-6-4-17(5-7-18)20-12-26-14-32-20)29(13-15)23(31)22(30)28-19-10-16(2)21(25)27-11-19/h4-7,10-12,14-15H,8-9,13H2,1-3H3,(H2,25,27)(H,28,30)/t15-,24-/m0/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide has a molecular weight of 449.58 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-2,5-dimethyl-2-[4-(1,3-thiazol-5-yl)phenyl]piperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 175637697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).