2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide

C22H25N5O2 — CID 171359775

IUPAC2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H25N5O2/c1-16(22-24-15-19(29-22)17-6-4-3-5-7-17)25-21(28)18-8-9-23-20(14-18)27-12-10-26(2)11-13-27/h3-9,14-16H,10-13H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyBEEQHPAONVUBRQ-INIZCTEOSA-N
MW391.48 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide

2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 171359775) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID171359775
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESC[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ncc(-c2ccccc2)o1
InChIInChI=1S/C22H25N5O2/c1-16(22-24-15-19(29-22)17-6-4-3-5-7-17)25-21(28)18-8-9-23-20(14-18)27-12-10-26(2)11-13-27/h3-9,14-16H,10-13H2,1-2H3,(H,25,28)/t16-/m0/s1
InChIKeyBEEQHPAONVUBRQ-INIZCTEOSA-N
XLogP2.98
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide (CID 171359775) is 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide is C[C@H](NC(=O)c1ccnc(N2CCN(C)CC2)c1)c1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is BEEQHPAONVUBRQ-INIZCTEOSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(22-24-15-19(29-22)17-6-4-3-5-7-17)25-21(28)18-8-9-23-20(14-18)27-12-10-26(2)11-13-27/h3-9,14-16H,10-13H2,1-2H3,(H,25,28)/t16-/m0/s1.
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide?
2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[(1S)-1-(5-phenyl-1,3-oxazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 171359775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).