N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide

C21H26N4O2 — CID 164751690

IUPACN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C)[C@H]2c2ccccc2)cnc1N
InChIInChI=1S/C21H26N4O2/c1-13-9-14(2)18(16-7-5-4-6-8-16)25(12-13)21(27)20(26)24-17-10-15(3)19(22)23-11-17/h4-8,10-11,13-14,18H,9,12H2,1-3H3,(H2,22,23)(H,24,26)/t13-,14+,18+/m1/s1
InChIKeyXBDGAJBBMHCQRC-GLJUWKHASA-N
MW366.47 g/mol
LogP3.16
Rot. Bonds2

About N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide

N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 164751690) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
PubChem CID164751690
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESCc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C)[C@H]2c2ccccc2)cnc1N
InChIInChI=1S/C21H26N4O2/c1-13-9-14(2)18(16-7-5-4-6-8-16)25(12-13)21(27)20(26)24-17-10-15(3)19(22)23-11-17/h4-8,10-11,13-14,18H,9,12H2,1-3H3,(H2,22,23)(H,24,26)/t13-,14+,18+/m1/s1
InChIKeyXBDGAJBBMHCQRC-GLJUWKHASA-N
XLogP3.16
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (CID 164751690) is N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is Cc1cc(NC(=O)C(=O)N2C[C@H](C)C[C@H](C)[C@H]2c2ccccc2)cnc1N.
What is the InChIKey of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is XBDGAJBBMHCQRC-GLJUWKHASA-N. The full InChI is InChI=1S/C21H26N4O2/c1-13-9-14(2)18(16-7-5-4-6-8-16)25(12-13)21(27)20(26)24-17-10-15(3)19(22)23-11-17/h4-8,10-11,13-14,18H,9,12H2,1-3H3,(H2,22,23)(H,24,26)/t13-,14+,18+/m1/s1.
What are the key properties of N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 366.47 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,3S,5R)-3,5-dimethyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 164751690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).