5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

C23H27N5O3S — CID 167033541

About 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide

5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (PubChem CID 167033541) has the molecular formula C23H27N5O3S and a molecular weight of 453.57 g/mol. Its IUPAC name is 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• PubChem CID: 167033541
• Molecular Formula: C23H27N5O3S
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.18
• IUPAC Name: 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide
• SMILES: C=C(/C=c1/nc(C)s/c1=C/C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cncc(C(N)=O)c1
• InChI: InChI=1S/C23H27N5O3S/c1-5-20-18(26-15(4)32-20)8-14(3)19-7-6-13(2)12-28(19)23(31)22(30)27-17-9-16(21(24)29)10-25-11-17/h5,8-11,13,19H,3,6-7,12H2,1-2,4H3,(H2,24,29)(H,27,30)/b18-8+,20-5+/t13-,19+/m1/s1
• InChIKey: SSTIFCMRSLFVJB-FTBLSKOMSA-N
• XLogP: 1.35
• TPSA: 118.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	1.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The IUPAC name of 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide (CID 167033541) is 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The canonical SMILES for 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is C=C(/C=c1/nc(C)s/c1=C/C)[C@@H]1CC[C@@H](C)CN1C(=O)C(=O)Nc1cncc(C(N)=O)c1.

What is the InChIKey of 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

The InChIKey is SSTIFCMRSLFVJB-FTBLSKOMSA-N. The full InChI is InChI=1S/C23H27N5O3S/c1-5-20-18(26-15(4)32-20)8-14(3)19-7-6-13(2)12-28(19)23(31)22(30)27-17-9-16(21(24)29)10-25-11-17/h5,8-11,13,19H,3,6-7,12H2,1-2,4H3,(H2,24,29)(H,27,30)/b18-8+,20-5+/t13-,19+/m1/s1.

What are the key properties of 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide?

5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[(2S,5R)-2-[(3E)-3-[(5E)-5-ethylidene-2-methyl-1,3-thiazol-4-ylidene]prop-1-en-2-yl]-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 167033541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).